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Record Information
Version1.0
Creation Date2016-05-19 01:32:23 UTC
Update Date2016-11-09 01:09:16 UTC
Accession NumberCHEM004014
Identification
Common NameAziridine, 2-methyl
ClassSmall Molecule
DescriptionPropyleneimine is the organic compound with the formula CH3CH(NH)CH2. It is a secondary amine and the smallest chiral aziridine (ring containing C2N). It is a colorless liquid. The compound is mainly of academic interest, e.g. for the synthesis of dendrimers, a process that exploits the tendency of aziridines to undergo ring-opening reactions.
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 2B
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
PropyleneimineKegg
Propylene imineMeSH
Chemical FormulaC3H7N
Average Molecular Mass57.096 g/mol
Monoisotopic Mass57.058 g/mol
CAS Registry Number75-55-8
IUPAC Name2-methylaziridine
Traditional Name2-methylaziridine
SMILESCC1CN1
InChI IdentifierInChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3
InChI KeyOZDGMOYKSFPLSE-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as aziridines. These are organic compounds containing a saturated three-member heterocycle with one amino group and two methylene groups.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAziridines
Sub ClassNot Available
Direct ParentAziridines
Alternative Parents
Substituents
  • Azacycle
  • Secondary amine
  • Secondary aliphatic amine
  • Aziridine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility528 g/LALOGPS
logP-0.47ALOGPS
logP0.052ChemAxon
logS0.97ALOGPS
pKa (Strongest Basic)7.95ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area21.94 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity17.14 m³·mol⁻¹ChemAxon
Polarizability6.84 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-9000000000-0f311f5379ef21e97c78View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4l-9000000000-1003007acc2627051492View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-4e724fa5302598b5d2d7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-9000000000-75c92d70e0a590c369ddView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-9000000000-f31155f77644b3dc15f0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-987a1ec523ca01233913View in MoNA
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkPropyleneimine
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID6377
Kegg Compound IDC19257
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available