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

• ChemBase ID: 273513
• Molecular Formular: C10H21ClN2O2
• Molecular Mass: 236.73894
• Monoisotopic Mass: 236.1291556
• SMILES: C(=O)(NC1CCC(CC1)O)C(N)(C)C.Cl
• Canonical SMILES: OC1CCC(CC1)NC(=O)C(N)(C)C.Cl
• InChI: InChI=1S/C10H20N2O2.ClH/c1-10(2,11)9(14)12-7-3-5-8(13)6-4-7;/h7-8,13H,3-6,11H2,1-2H3,(H,12,14);1H
• InChIKey: RRPXFRGRISGKQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18785498
• PubChem SID: 164329423
• PubChem CID: 54592863

CALCULATED PROPERTIES

• Acid pKa: 15.111622
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.100217
• LogD (pH = 7.4): -1.5761337
• Log P: -0.31665996
• Molar Refractivity: 54.6132 cm^3
• Polarizability: 21.78275 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250 - 252°C
• Hydrophobicity(logP): -1.043

Product Information

• Purity: 95%