N-benzylcyclopentanamine hydrochloride

• ChemBase ID: 45261
• Molecular Formular: C12H18ClN
• Molecular Mass: 211.73102
• Monoisotopic Mass: 211.11277726
• SMILES: N(Cc1ccccc1)C1CCCC1.Cl
• Canonical SMILES: C1CCC(C1)NCc1ccccc1.Cl
• InChI: InChI=1S/C12H17N.ClH/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12;/h1-3,6-7,12-13H,4-5,8-10H2;1H
• InChIKey: YEWYKWDDUOYQHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylcyclopentanamine hydrochloride
• IUPAC Traditional name: N-benzylcyclopentanamine hydrochloride
• Synonyms: N-Benzylcyclopentanamine hydrochloride

Database IDs

• MDL Number: MFCD07105720
• PubChem SID: 162050024
• PubChem CID: 17289667

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.33471155
• LogD (pH = 7.4): 0.33704445
• Log P: 2.8862965
• Molar Refractivity: 55.7192 cm^3
• Polarizability: 22.23819 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false