(1S,2R)-2-aminocyclohexan-1-ol hydrochloride

• ChemBase ID: 68645
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: [C@H]1([C@@H](CCCC1)N)O.Cl
• Canonical SMILES: N[C@@H]1CCCC[C@@H]1O.Cl
• InChI: InChI=1S/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6+;/m1./s1
• InChIKey: LKKCSUHCVGCGFA-IBTYICNHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R)-2-aminocyclohexan-1-ol hydrochloride
• IUPAC Traditional name: (1S,2R)-2-aminocyclohexan-1-ol hydrochloride
• Synonyms: (1S,2R)-2-Aminocyclohexanol hydrochloride

Database IDs

• CAS Number: 200352-28-9
• MDL Number: MFCD11618003
• PubChem SID: 162034375
• PubChem CID: 17039400

CALCULATED PROPERTIES

• Acid pKa: 14.611771
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9152315
• LogD (pH = 7.4): -2.2774904
• Log P: 0.09890806
• Molar Refractivity: 32.2945 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%