(1r,4r)-4-(dimethylamino)cyclohexan-1-ol

• ChemBase ID: 796611
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: [C@@H]1(CC[C@@H](CC1)N(C)C)O
• Canonical SMILES: O[C@@H]1CC[C@H](CC1)N(C)C
• InChI: InChI=1S/C8H17NO/c1-9(2)7-3-5-8(10)6-4-7/h7-8,10H,3-6H2,1-2H3/t7-,8-
• InChIKey: STNVXNYQNKDYBT-ZKCHVHJHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1r,4r)-4-(dimethylamino)cyclohexan-1-ol
• IUPAC Traditional name: (1r,4r)-4-(dimethylamino)cyclohexan-1-ol
• Synonyms: (1r,4r)-4-(DiMethylaMino)cyclohexanol

Database IDs

• CAS Number: 103023-51-4

CALCULATED PROPERTIES

• Acid pKa: 15.256587
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.848113
• LogD (pH = 7.4): -1.8661672
• Log P: 0.60272145
• Molar Refractivity: 42.6718 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%