1-phenylcyclopentan-1-amine

• ChemBase ID: 30794
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1(c2ccccc2)(N)CCCC1
• Canonical SMILES: NC1(CCCC1)c1ccccc1
• InChI: InChI=1S/C11H15N/c12-11(8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2
• InChIKey: YXAQCAOJLDGGDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylcyclopentan-1-amine
• IUPAC Traditional name: 1-phenylcyclopentan-1-amine
• Synonyms: 1-Phenyl-cyclopentylamine; 1-phenylcyclopentan-1-amine; 1-Phenylcyclopentylamine

Database IDs

• CAS Number: 17380-74-4
• MDL Number: MFCD09903679
• PubChem SID: 160994101
• PubChem CID: 167651

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.64258015
• LogD (pH = 7.4): -0.121844865
• Log P: 2.3774848
• Molar Refractivity: 50.8342 cm^3
• Polarizability: 20.39017 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.556

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%