(1-methylcyclopentyl)methanamine hydrochloride

• ChemBase ID: 272396
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1(CN)(C)CCCC1.Cl
• Canonical SMILES: NCC1(C)CCCC1.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-7(6-8)4-2-3-5-7;/h2-6,8H2,1H3;1H
• InChIKey: CYHREEAGZNSGMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylcyclopentyl)methanamine hydrochloride
• IUPAC Traditional name: (1-methylcyclopentyl)methanamine hydrochloride
• Synonyms: (1-methylcyclopentyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD18380674
• PubChem SID: 164328306
• PubChem CID: 50988125

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.593137
• LogD (pH = 7.4): -0.977523
• Log P: 1.4222566
• Molar Refractivity: 35.4609 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 272 - 274°C
• Hydrophobicity(logP): 1.946

Product Information

• Purity: 95%