(1R,2R)-2-(1-methylhydrazin-1-yl)cyclohexan-1-ol

• ChemBase ID: 28601
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: [C@H]1(N(N)C)[C@H](O)CCCC1
• Canonical SMILES: CN([C@@H]1CCCC[C@H]1O)N
• InChI: InChI=1S/C7H16N2O/c1-9(8)6-4-2-3-5-7(6)10/h6-7,10H,2-5,8H2,1H3/t6-,7-/m1/s1
• InChIKey: HBWKTLHWBLKSTB-RNFRBKRXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-(1-methylhydrazin-1-yl)cyclohexan-1-ol
• IUPAC Traditional name: (1R,2R)-2-(1-methylhydrazin-1-yl)cyclohexan-1-ol
• Synonyms: (1R,2R)-2-(1-Methylhydrazino)cyclohexanol

Database IDs

• MDL Number: MFCD10687400
• PubChem SID: 160991908
• PubChem CID: 28307735

CALCULATED PROPERTIES

• Acid pKa: 14.551663
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.56575114
• LogD (pH = 7.4): -0.15255496
• Log P: -0.14365327
• Molar Refractivity: 41.5532 cm^3
• Polarizability: 16.366024 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false