Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2016-05-19 03:03:21 UTC |
---|
Update Date | 2016-11-09 01:13:58 UTC |
---|
Accession Number | CHEM009348 |
---|
Identification |
---|
Common Name | Hexamethyleneimine |
---|
Class | Small Molecule |
---|
Description | An azacycloalkane that is cycloheptane in which one of the carbon atoms is replaced by a nitrogen atom. |
---|
Contaminant Sources | - HPV EPA Chemicals
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
|
---|
Contaminant Type | Not Available |
---|
Chemical Structure | |
---|
Synonyms | Value | Source |
---|
Azacycloheptane | ChEBI | Hexahydro-1H-azepine | ChEBI | Hexahydroazepine | ChEBI | Hexamethyleneimine | ChEBI | Hexamethylenimine | ChEBI | Perhydroazepine | MeSH | Hexahydroazepine hydrochloride | MeSH |
|
---|
Chemical Formula | C6H13N |
---|
Average Molecular Mass | 99.177 g/mol |
---|
Monoisotopic Mass | 99.105 g/mol |
---|
CAS Registry Number | 111-49-9 |
---|
IUPAC Name | azepane |
---|
Traditional Name | hexamethyleneimine |
---|
SMILES | C1CCCNCC1 |
---|
InChI Identifier | InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2 |
---|
InChI Key | ZSIQJIWKELUFRJ-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Azepanes |
---|
Sub Class | Not Available |
---|
Direct Parent | Azepanes |
---|
Alternative Parents | |
---|
Substituents | - Azepane
- Azacycle
- Secondary amine
- Secondary aliphatic amine
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Amine
- Aliphatic heteromonocyclic compound
|
---|
Molecular Framework | Aliphatic heteromonocyclic compounds |
---|
External Descriptors | |
---|
Biological Properties |
---|
Status | Detected and Not Quantified |
---|
Origin | Not Available |
---|
Cellular Locations | Not Available |
---|
Biofluid Locations | Not Available |
---|
Tissue Locations | Not Available |
---|
Pathways | Not Available |
---|
Applications | Not Available |
---|
Biological Roles | Not Available |
---|
Chemical Roles | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Appearance | Not Available |
---|
Experimental Properties | Property | Value |
---|
Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
|
---|
Predicted Properties | |
---|
Spectra |
---|
Spectra | |
---|
Toxicity Profile |
---|
Route of Exposure | Not Available |
---|
Mechanism of Toxicity | Not Available |
---|
Metabolism | Not Available |
---|
Toxicity Values | Not Available |
---|
Lethal Dose | Not Available |
---|
Carcinogenicity (IARC Classification) | Not Available |
---|
Uses/Sources | Not Available |
---|
Minimum Risk Level | Not Available |
---|
Health Effects | Not Available |
---|
Symptoms | Not Available |
---|
Treatment | Not Available |
---|
Concentrations |
---|
| Not Available |
---|
External Links |
---|
DrugBank ID | Not Available |
---|
HMDB ID | Not Available |
---|
FooDB ID | Not Available |
---|
Phenol Explorer ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
BiGG ID | Not Available |
---|
BioCyc ID | Not Available |
---|
METLIN ID | Not Available |
---|
PDB ID | Not Available |
---|
Wikipedia Link | Azepane |
---|
Chemspider ID | Not Available |
---|
ChEBI ID | 32616 |
---|
PubChem Compound ID | 8119 |
---|
Kegg Compound ID | Not Available |
---|
YMDB ID | Not Available |
---|
ECMDB ID | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
MSDS | Not Available |
---|
General References | |
---|