(2S)-2,3-diaminopropanoic acid hydrochloride

• ChemBase ID: 797616
• Molecular Formular: C3H9ClN2O2
• Molecular Mass: 140.56876
• Monoisotopic Mass: 140.03525522
• SMILES: Cl.C(=O)([C@H](CN)N)O
• Canonical SMILES: N[C@H](C(=O)O)CN.Cl
• InChI: InChI=1S/C3H8N2O2.ClH/c4-1-2(5)3(6)7;/h2H,1,4-5H2,(H,6,7);1H/t2-;/m0./s1
• InChIKey: SKWCZPYWFRTSDD-DKWTVANSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,3-diaminopropanoic acid hydrochloride
• IUPAC Traditional name: L-2,3-diaminopropionic acid hydrochloride
• Synonyms: (S)-2,3-DiaMinopropanoic acid hydrochloride

Database IDs

• CAS Number: 1482-97-9

CALCULATED PROPERTIES

• Acid pKa: 2.1010375
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.112607
• LogD (pH = 7.4): -4.0595517
• Log P: -4.0216513
• Molar Refractivity: 23.6985 cm^3
• Polarizability: 9.885121 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%