2-amino-N-(4-hydroxycyclohexyl)acetamide hydrochloride

• ChemBase ID: 262009
• Molecular Formular: C8H17ClN2O2
• Molecular Mass: 208.68578
• Monoisotopic Mass: 208.09785547
• SMILES: C(=O)(NC1CCC(CC1)O)CN.Cl
• Canonical SMILES: NCC(=O)NC1CCC(CC1)O.Cl
• InChI: InChI=1S/C8H16N2O2.ClH/c9-5-8(12)10-6-1-3-7(11)4-2-6;/h6-7,11H,1-5,9H2,(H,10,12);1H
• InChIKey: IHQYSLDQPXWEAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(4-hydroxycyclohexyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(4-hydroxycyclohexyl)acetamide hydrochloride
• Synonyms: 2-amino-N-(4-hydroxycyclohexyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD12913051
• PubChem SID: 164317919
• PubChem CID: 45791955

CALCULATED PROPERTIES

• Acid pKa: 15.106682
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.811012
• LogD (pH = 7.4): -2.1278088
• Log P: -1.3181901
• Molar Refractivity: 45.406 cm^3
• Polarizability: 18.112263 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.661

Product Information

• Purity: 95%