(1R,2R)-2-(propylamino)cyclohexan-1-ol

• ChemBase ID: 308133
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: [C@@H]1([C@H](O)CCCC1)NCCC
• Canonical SMILES: CCCN[C@@H]1CCCC[C@H]1O
• InChI: InChI=1S/C9H19NO/c1-2-7-10-8-5-3-4-6-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m1/s1
• InChIKey: SXOCCHYQGUFUDW-RKDXNWHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-(propylamino)cyclohexan-1-ol
• IUPAC Traditional name: (1R,2R)-2-(propylamino)cyclohexan-1-ol
• Synonyms: trans-2-(propylamino)cyclohexanol

Database IDs

• CAS Number: 60093-74-5
• MDL Number: MFCD18533364

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8203286
• LogD (pH = 7.4): -1.3523911
• Log P: 1.4108188
• Molar Refractivity: 46.3417 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 32.26 Å^2