Asparagine (data page)

The complete data for Asparagine
	General information Chemical formula: C4H8N2O3 Molar mass: 132.118 g·mol^−1 Systematic name: (2S)-2-amino-3-carbamoyl-propanoic acid Abbreviations: N, Asn Synonyms: (S)-2-aminosuccinic acid 4-amide {α/2}-aminosuccinamic acid Agedoite Altheine Asparagine acid Asparamide Asparatamine Aspartamic acid Aspartamine Aspartic acid β-amide Aspartic acid amide CHEBI:17196 Crystal VI NSC 82391
Database data
SMILES: C([C@@H](C(=O)O)N)C(=O)N InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1/f/h8H,6H2 ATC: N/A CAS: [70-47-3] DrugBank: N/A EINECS: 200-735-9 PubChem: 6267 (L) ^a
Physical properties
Structure Crystal data Spectral data UV-Vis IR NMR MS - Masses of main fragments: GMD MS Spectrum Phase behavior Solid properties Tm: 235 °C Liquid properties Gas properties
Hazard properties
MSDS N/A Main hazards: - N/A NFPA 704 Flash point - N/A R/S statement R: N/A S: N/A RTECS number: N/A
Chemical properties
XLogP: -3.952 pI: 5.41 pKa: 2.16; 8.73 Tautomers: 2 Hydrogen bond: donor - 3;  acceptor - 4
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References

1. ^a CID 6267 from PubChem (L-asparagine)