methyl (1R,2R)-2-aminocyclohexane-1-carboxylate hydrochloride

• ChemBase ID: 247825
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: [C@H]1(C(=O)OC)[C@H](N)CCCC1.Cl
• Canonical SMILES: COC(=O)[C@@H]1CCCC[C@H]1N.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-11-8(10)6-4-2-3-5-7(6)9;/h6-7H,2-5,9H2,1H3;1H/t6-,7-;/m1./s1
• InChIKey: PYKBWUZZPSEGLC-ZJLYAJKPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (1R,2R)-2-aminocyclohexane-1-carboxylate hydrochloride
• IUPAC Traditional name: methyl (1R,2R)-2-aminocyclohexane-1-carboxylate hydrochloride
• Synonyms: methyl (1R,2R)-2-aminocyclohexane-1-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD13195006
• PubChem SID: 164303735
• PubChem CID: 71433315

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2964368
• LogD (pH = 7.4): -1.4167835
• Log P: 0.6983577
• Molar Refractivity: 41.788 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.003

Product Information

• Purity: 95%