DL-Asparagine

C₄H₈N₂O₃CAS 3130-87-8132.12 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₈N₂O₃
Molar mass: 132.12 g/mol
Exact mass: 132.0535 Da
Melting point: 280–285 °C (decomposes)
logP: -0.68Crippen estimate
Polar surface area: 107.4 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3130-87-8

SMILES

N=C(O)CC(N)C(=O)O

InChIKey

DCXYFEDJOCDNAF-UHFFFAOYSA-N

InChI

InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Asparagine
Asparagine, DL-
(±)-Asparagine
DL-Aspartamine
NSC 206243
NSC 7891
2-Aminosuccinamic acid
2-Amino-3-carbamoylpropanoic acid
2,4-Diamino-4-oxobutanoic acid

Work with DL-Asparagine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Asparagine monohydrate5794-13-8Hydrate, defined stereoisomer Dl-asparagine hydrate69833-18-7Hydrate Asparagine70-47-3Defined stereoisomer D-Asparagine2058-58-4Defined stereoisomer

Similar compounds

Glutamine56-85-967 % similar Glutamine585-21-767 % similar D-Glutamine5959-95-567 % similar D-Aspartic acid1783-96-659 % similar Polyaspartic acid25608-40-659 % similar Aspartic acid56-84-859 % similar (+-)-Aspartic acid617-45-859 % similar L-Aspartic acid6899-03-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-oximinooxamate10489-74-4 1-Methoxy-1-methylamino-2-nitroethylene110763-36-5 Ethyl 2-hydrazinyl-2-oxoacetate35196-48-6 4-Nitromorpholine4164-32-3 Glycine, 1,1′-anhydride4202-74-8 Glycylglycine556-50-3 N-Methyl-N-nitrosourethane615-53-2

Elsewhere

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