(1-phenylcyclohexyl)methanamine

• ChemBase ID: 18948
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1(c2ccccc2)(CN)CCCCC1
• Canonical SMILES: NCC1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C13H19N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2
• InChIKey: ULRBJKIRTCBMRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylcyclohexyl)methanamine
• IUPAC Traditional name: (1-phenylcyclohexyl)methanamine
• Synonyms: 1-(1-phenylcyclohexyl)methanamine; C-(1-Phenyl-cyclohexyl)-methylamine; (1-phenylcyclohexyl)methylamine

Database IDs

• CAS Number: 17380-54-0
• MDL Number: MFCD01734861
• PubChem SID: 160982255
• PubChem CID: 205110

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.014512256
• LogD (pH = 7.4): 0.9676823
• Log P: 3.0006292
• Molar Refractivity: 60.1569 cm^3
• Polarizability: 24.004417 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.544

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%