3-aminocyclohexane-1-carboxamide hydrochloride

• ChemBase ID: 239368
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: C(=O)(C1CC(N)CCC1)N.Cl
• Canonical SMILES: NC1CCCC(C1)C(=O)N.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h5-6H,1-4,8H2,(H2,9,10);1H
• InChIKey: ZCFBGXVDLNNMDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminocyclohexane-1-carboxamide hydrochloride
• IUPAC Traditional name: 3-aminocyclohexane-1-carboxamide hydrochloride
• Synonyms: 3-aminocyclohexane-1-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD22378730
• PubChem SID: 164295278
• PubChem CID: 67277233

CALCULATED PROPERTIES

• Molar Refractivity: 38.9951 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 16.73326
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.434912
• LogD (pH = 7.4): -3.0310614
• Log P: -0.41038644

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.364

Product Information

• Purity: 95%