N-methylcyclopentanamine hydrochloride

• ChemBase ID: 55304
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: N(C1CCCC1)C.Cl
• Canonical SMILES: CNC1CCCC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-7-6-4-2-3-5-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: DTMTYKUCZFYAEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylcyclopentanamine hydrochloride
• IUPAC Traditional name: N-methylcyclopentanamine hydrochloride
• Synonyms: N-Methylcyclopentanamine hydrochloride; N-cyclopentyl-N-methylamine hydrochloride

Database IDs

• CAS Number: 2439-56-7
• MDL Number: MFCD09743400
• PubChem SID: 162060067
• PubChem CID: 43810760

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.075067
• LogD (pH = 7.4): -1.7916017
• Log P: 1.1618234
• Molar Refractivity: 31.1066 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C
• Hydrophobicity(logP): 0.954

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%