(2S)-2-{[(2S)-2-Ammoniobutanoyl]Amino}Propanoate
[CAS# 51013-81-1]

Identification

• Name: (2S)-2-{[(2S)-2-Ammoniobutanoyl]Amino}Propanoate
• Synonyms: H-2-ABU-ALA-OH; ZINC04760518
• Molecular Formula: C₇H₁₄N₂O₃
• Molecular Weight: 174.20
• CAS Registry Number: 51013-81-1
• SMILES: [O-]C(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC)C
• InChI: 1S/C7H14N2O3/c1-3-5(8)6(10)9-4(2)7(11)12/h4-5H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t4-,5-/m0/s1
• InChIKey: CXIYNQMIFYYQJC-WHFBIAKZSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 405.032°C at 760 mmHg (Cal.)
• Flash point: 198.756°C (Cal.)