(2R)-2-aminopropanamide hydrochloride

• ChemBase ID: 67507
• Molecular Formular: C3H9ClN2O
• Molecular Mass: 124.56936
• Monoisotopic Mass: 124.0403406
• SMILES: C(=O)([C@@H](C)N)N.Cl
• Canonical SMILES: NC(=O)[C@H](N)C.Cl
• InChI: InChI=1S/C3H8N2O.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H2,5,6);1H/t2-;/m1./s1
• InChIKey: FIAINKIUSZGVGX-HSHFZTNMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-aminopropanamide hydrochloride
• IUPAC Traditional name: (2R)-2-aminopropanamide hydrochloride
• Synonyms: (R)-2-Aminopropanamide hydrochloride; D-Alanineamide hydrochloride; (2R)-2-Aminopropanamide hydrochloride

Database IDs

• CAS Number: 71810-97-4
• MDL Number: MFCD00039093
• PubChem SID: 162033242
• PubChem CID: 2775814

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

Physical Property

• Melting Point: 169-172°C

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%