Dl-asparagine hydrate

C₄H₁₀N₂O₄CAS 69833-18-7150.13 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₁₀N₂O₄
Molar mass: 150.13 g/mol
Exact mass: 150.0641 Da
logP: -2.55Crippen estimate
Polar surface area: 137.9 Å²
H-bond donors / acceptors: 3 / 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

69833-18-7

SMILES

C(C(C(=O)O)N)C(=O)N.O

InChIKey

RBMGJIZCEWRQES-UHFFFAOYSA-N

InChI

InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2

Weigh it out

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Names and synonyms

1 names

DL-Asparagine monohydrate

Work with Dl-asparagine hydrate

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.

Asparagine70-47-3Anhydrous, defined stereoisomer Asparagine3130-87-8Anhydrous D-Asparagine2058-58-4Anhydrous, defined stereoisomer Asparagine monohydrate5794-13-8Defined stereoisomer

Similar compounds

D-Aspartic acid1783-96-657 % similar Polyaspartic acid25608-40-657 % similar Aspartic acid56-84-857 % similar DL-Aspartic acid617-45-857 % similar L-Aspartic acid6899-03-257 % similar Dl-cysteine hydrochloride monohydrate116797-51-453 % similar Dl-glutamic acid monohydrate19285-83-753 % similar L-Lysine, hydrate (1:1)39665-12-853 % similar

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

Elsewhere

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