[(1r,4r)-4-(aminomethyl)cyclohexyl]methanol

• ChemBase ID: 309438
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: NC[C@H]1CC[C@@H](CC1)CO
• Canonical SMILES: NC[C@@H]1CC[C@H](CC1)CO
• InChI: InChI=1S/C8H17NO/c9-5-7-1-3-8(6-10)4-2-7/h7-8,10H,1-6,9H2/t7-,8-
• InChIKey: WWDKVICMJWBJKJ-ZKCHVHJHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1r,4r)-4-(aminomethyl)cyclohexyl]methanol
• IUPAC Traditional name: [(1r,4r)-4-(aminomethyl)cyclohexyl]methanol
• Synonyms: [trans-4-(aminomethyl)cyclohexyl]methanol

Database IDs

• CAS Number: 17879-23-1
• MDL Number: MFCD14702919

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6071708
• LogD (pH = 7.4): -2.196256
• Log P: 0.4171186
• Molar Refractivity: 42.0641 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 46.25 Å^2