1-methylpyrrolidin-2-imine hydrochloride

• ChemBase ID: 239206
• Molecular Formular: C5H11ClN2
• Molecular Mass: 134.60724
• Monoisotopic Mass: 134.06107604
• SMILES: C1(=N)N(CCC1)C.Cl
• Canonical SMILES: N=C1CCCN1C.Cl
• InChI: InChI=1S/C5H10N2.ClH/c1-7-4-2-3-5(7)6;/h6H,2-4H2,1H3;1H
• InChIKey: WRGPBVKOBLWDSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpyrrolidin-2-imine hydrochloride
• IUPAC Traditional name: 1-methylpyrrolidin-2-imine hydrochloride
• Synonyms: 1-methylpyrrolidin-2-imine hydrochloride

Database IDs

• MDL Number: MFCD22378690
• PubChem SID: 164295116
• PubChem CID: 12448967

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.609324
• LogD (pH = 7.4): -2.6088126
• Log P: -0.19387172
• Molar Refractivity: 40.0246 cm^3
• Polarizability: 11.0722275 Å^3
• Polar Surface Area: 27.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.388

Product Information

• Purity: 95%