(2S)-Ammonio(3,5-dimethyl-1H-pyrazol-4-yl)acetate
[CAS# 736904-89-5]

Identification

• Name: (2S)-Ammonio(3,5-dimethyl-1H-pyrazol-4-yl)acetate
• Synonyms: (S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid; ZINC02559668
• Molecular Formula: C₇H₁₁N₃O₂
• Molecular Weight: 169.18
• CAS Registry Number: 736904-89-5
• SMILES: O=C([O-])[C@H](c1c(nnc1C)C)[NH3+]
• InChI: 1S/C7H11N3O2/c1-3-5(4(2)10-9-3)6(8)7(11)12/h6H,8H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1
• InChIKey: LLUFIONGXCUZRI-LURJTMIESA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 407.927°C at 760 mmHg (Cal.)
• Flash point: 200.507°C (Cal.)
• Refractive index: 1.603 (Cal.)