N-benzylcyclopentanamine

• ChemBase ID: 21882
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: N(Cc1ccccc1)C1CCCC1
• Canonical SMILES: C1CCC(C1)NCc1ccccc1
• InChI: InChI=1S/C12H17N/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
• InChIKey: PPVZYCGBQWWSKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylcyclopentanamine
• IUPAC Traditional name: N-benzylcyclopentanamine
• Synonyms: N-Benzylcyclopentanamine; N-Benzyl-N-cyclopentylamine

Database IDs

• CAS Number: 15205-23-9
• MDL Number: MFCD04598198
• PubChem SID: 160985189
• PubChem CID: 4715568

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

Product Information

• Purity: 95+%