Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-22 06:47:42 UTC |
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Update Date | 2016-11-09 01:16:08 UTC |
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Accession Number | CHEM020106 |
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Identification |
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Common Name | 2,5-Dimethoxyamphetamine hydrochloride |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | - ToxCast & Tox21 Chemicals
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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2,5-Dimethoxyamphetamine, (R)-isomer | MeSH | 2,5-Dimethoxyamphetamine oxalate(1:1), (+-)-isomer | MeSH | 1-(2,5-Dimethoxyphenyl)-2-aminopropane | MeSH | 2,5-Dimethoxyamphetamine hydrochloride, (R)-isomer | MeSH | 2,5-Dimethoxyamphetamine hydrochloride (+-)-isomer | MeSH | 2,5-Dimethoxyamphetamine, (+-)-isomer | MeSH | 2,5-Dimethoxyamphetamine sulfate(2:1) | MeSH | 2,5-Dimethoxyamphetamine hydrochloride, (S)-isomer | MeSH | 2,5-Dimethoxyamphetamine | MeSH | 2,5-Dimethoxyamphetamine, (S)-isomer | MeSH | 2,5-Dimethoxyamphetamine hydrochloride | MeSH |
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Chemical Formula | C11H18ClNO2 |
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Average Molecular Mass | 231.720 g/mol |
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Monoisotopic Mass | 231.103 g/mol |
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CAS Registry Number | 24973-25-9 |
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IUPAC Name | 1-(2,5-dimethoxyphenyl)propan-2-amine hydrochloride |
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Traditional Name | 2,5-dimethoxyamphetamine hydrochloride |
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SMILES | Cl.COC1=CC=C(OC)C(CC(C)N)=C1 |
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InChI Identifier | InChI=1S/C11H17NO2.ClH/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3;/h4-5,7-8H,6,12H2,1-3H3;1H |
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InChI Key | OLBMBFHNGDUGST-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Phenethylamines |
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Direct Parent | Amphetamines and derivatives |
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Alternative Parents | |
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Substituents | - Amphetamine or derivatives
- P-dimethoxybenzene
- Dimethoxybenzene
- Phenylpropane
- Phenoxy compound
- Anisole
- Phenol ether
- Methoxybenzene
- Alkyl aryl ether
- Aralkylamine
- Ether
- Hydrochloride
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Primary amine
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0090000000-35896631a29bb221ee62 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0090000000-35896631a29bb221ee62 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-0090000000-35896631a29bb221ee62 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0090000000-708d5705ead7eb16d190 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-0090000000-708d5705ead7eb16d190 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-0090000000-708d5705ead7eb16d190 | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | DBSALT002323 |
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HMDB ID | Not Available |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | Not Available |
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PubChem Compound ID | 62786 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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