1-methylcyclopentan-1-amine hydrochloride

• ChemBase ID: 136648
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: CC1(CCCC1)N.Cl
• Canonical SMILES: CC1(N)CCCC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-6(7)4-2-3-5-6;/h2-5,7H2,1H3;1H
• InChIKey: HIACBHAMKCSYFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylcyclopentan-1-amine hydrochloride
• IUPAC Traditional name: cyclopentanamine, 1-methyl- hydrochloride
• Synonyms: 1-methylcyclopentan-1-amine hydrochloride; 1-Methylcyclopentanamine hydrochloride; 1-Methylcyclopentylamine hydrochloride; 1-Amino-1-methylcyclopentane hydrochloride

Database IDs

• CAS Number: 102014-58-4
• MDL Number: MFCD11858044
• PubChem SID: 162230918
• PubChem CID: 11506460

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.020327
• LogD (pH = 7.4): -1.8343966
• Log P: 1.0098196
• Molar Refractivity: 30.9702 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135-140 °C; 249 - 251°C
• Hydrophobicity(logP): 1.327

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C6H14ClN

DETAILS

Sigma Aldrich - 737003

包装
250 mg in glass bottle