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/AMain hazards:
- N/A
NFPA 704
Flammability (red): no hazard code Health (blue): no hazard code Reactivity (yellow): no hazard code Special hazards (white): no codeNFPA 704 four-colored diamond
Flash point
- N/A

R/S statement

R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: -3.952pI: 5.41pKa: 2.16; 8.73Tautomers: 2Hydrogen 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)
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