(2S)-2-aminopropanamide hydrobromide

• ChemBase ID: 131623
• Molecular Formular: C3H9BrN2O
• Molecular Mass: 169.02036
• Monoisotopic Mass: 167.98982492
• SMILES: C[C@@H](C(=O)N)N.Br
• Canonical SMILES: NC(=O)[C@@H](N)C.Br
• InChI: InChI=1S/C3H8N2O.BrH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H2,5,6);1H/t2-;/m0./s1
• InChIKey: BYAVGTZKLGIZPY-DKWTVANSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-aminopropanamide hydrobromide
• IUPAC Traditional name: alaninamide, hydrobromide
• Synonyms: L-Alaninamide hydrobromide; (S)-2-AMinopropanaMide hydrobroMide; L-丙氨酰胺 氢溴酸盐

Database IDs

• CAS Number: 102029-80-1
• MDL Number: MFCD00050707
• PubChem SID: 162225900
• PubChem CID: 18632422

CALCULATED PROPERTIES

• Acid pKa: 16.469738
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.044142
• LogD (pH = 7.4): -2.4191263
• Log P: -1.385654
• Molar Refractivity: 22.3195 cm^3
• Polarizability: 9.0116005 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%