2-aminobutanamide hydrochloride

• ChemBase ID: 299120
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: CCC(C(=O)N)N.Cl
• Canonical SMILES: CCC(C(=O)N)N.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H2,6,7);1H
• InChIKey: HDBMIDJFXOYCGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminobutanamide hydrochloride
• IUPAC Traditional name: 2-aminobutanamide hydrochloride
• Synonyms: (2S)-2-Aminobutanamide hydrochloride; (S)-(+)-2-Aminobutyramide hydrochloride

Database IDs

• CAS Number: 7682-20-4
• MDL Number: MFCD00136565
• PubChem SID: 180684651
• PubChem CID: 14333659

CALCULATED PROPERTIES

• Acid pKa: 16.56526
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5550458
• LogD (pH = 7.4): -1.9505231
• Log P: -0.8631315
• Molar Refractivity: 26.8435 cm^3
• Polarizability: 10.84336 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 259-263°C
• Optical Rotation: +24 (c=1 in water)

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99%