2-amino-N-hydroxy-2-methylpropanamide hydrochloride

• ChemBase ID: 245590
• Molecular Formular: C4H11ClN2O2
• Molecular Mass: 154.59534
• Monoisotopic Mass: 154.05090528
• SMILES: C(=O)(C(N)(C)C)NO.Cl
• Canonical SMILES: ONC(=O)C(N)(C)C.Cl
• InChI: InChI=1S/C4H10N2O2.ClH/c1-4(2,5)3(7)6-8;/h8H,5H2,1-2H3,(H,6,7);1H
• InChIKey: PKUOYPOHIHZBEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-hydroxy-2-methylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-hydroxy-2-methylpropanamide hydrochloride
• Synonyms: 2-amino-N-hydroxy-2-methylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD23144100
• PubChem SID: 164301500
• PubChem CID: 71757749

CALCULATED PROPERTIES

• Acid pKa: 8.967987
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.5206125
• LogD (pH = 7.4): -1.8932948
• Log P: -1.5152669
• Molar Refractivity: 28.7974 cm^3
• Polarizability: 11.510753 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): -1.58

Product Information

• Purity: 95%