(1-benzylcyclopentyl)methanamine hydrochloride

• ChemBase ID: 246291
• Molecular Formular: C13H20ClN
• Molecular Mass: 225.7576
• Monoisotopic Mass: 225.12842733
• SMILES: C1(Cc2ccccc2)(CN)CCCC1.Cl
• Canonical SMILES: NCC1(CCCC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C13H19N.ClH/c14-11-13(8-4-5-9-13)10-12-6-2-1-3-7-12;/h1-3,6-7H,4-5,8-11,14H2;1H
• InChIKey: XAANXDDQHKJGDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164302201
• PubChem CID: 71757944

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.006636273
• LogD (pH = 7.4): 0.734684
• Log P: 3.0006292
• Molar Refractivity: 60.1569 cm^3
• Polarizability: 24.006964 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 3.364

Product Information

• Purity: 95%