4-amino-N-methylbutanamide hydrochloride

• ChemBase ID: 55358
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=O)(NC)CCCN.Cl
• Canonical SMILES: CNC(=O)CCCN.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-7-5(8)3-2-4-6;/h2-4,6H2,1H3,(H,7,8);1H
• InChIKey: NAVSCJJGECHRQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-methylbutanamide hydrochloride
• IUPAC Traditional name: 4-amino-N-methylbutanamide hydrochloride
• Synonyms: 4-Amino-N-methylbutanamide hydrochloride

Database IDs

• MDL Number: MFCD12197000
• PubChem SID: 162060121
• PubChem CID: 42944932

CALCULATED PROPERTIES

• Acid pKa: 16.493633
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.223325
• LogD (pH = 7.4): -3.6632144
• Log P: -1.2050681
• Molar Refractivity: 32.1767 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128°C
• Hydrophobicity(logP): -1.057

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%