(1R,2R)-2-hydrazinylcyclohexan-1-ol

• ChemBase ID: 28602
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: [C@H]1(NN)[C@H](O)CCCC1
• Canonical SMILES: NN[C@@H]1CCCC[C@H]1O
• InChI: InChI=1S/C6H14N2O/c7-8-5-3-1-2-4-6(5)9/h5-6,8-9H,1-4,7H2/t5-,6-/m1/s1
• InChIKey: ARQGIKLKSPYVME-PHDIDXHHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-hydrazinylcyclohexan-1-ol
• IUPAC Traditional name: (1R,2R)-2-hydrazinylcyclohexan-1-ol
• Synonyms: trans-2-Hydrazinocyclohexanol; (1R,2R)-2-Hydrazinocyclohexanol; trans-2-hydrazinocyclohexanol

Database IDs

• CAS Number: 55275-65-5
• MDL Number: MFCD07787353; MFCD10687401
• PubChem SID: 160991909
• PubChem CID: 13403698

CALCULATED PROPERTIES

• Acid pKa: 14.560019
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.40363932
• LogD (pH = 7.4): -0.09134975
• Log P: -0.085747354
• Molar Refractivity: 47.2714 cm^3
• Polarizability: 14.52605 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C6H14N2O

DETAILS

Sigma Aldrich - CBR00126

Other Notes
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Legal Information
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