(2S)-2,4-Bis(15N)(azanyl)-4-oxobutanoic acid;hydrate

Base Information

• Chemical Name: (2S)-2,4-Bis(15N)(azanyl)-4-oxobutanoic acid;hydrate
• CAS No.: 287484-32-6
• Molecular Formula: C4H8 N2 O3 . H2 O
• Molecular Weight: 152.15
• DSSTox Substance ID: DTXSID40583862
• Mol file: 287484-32-6.mol

Synonyms:287484-32-6;L-Asparagine-15N2 (monohydrate);(2S)-2,4-Bis(15N)(azanyl)-4-oxobutanoic acid;hydrate;L-Asparagine-15N2 monohydrate;L-Asparagine HO(15n2);DTXSID40583862;HY-N0667S2;L-ASPARAGINE-15N2 MONOHYDRATE;MS-22856;CS-0226249;L-(~15~N_2_)Asparagine--water (1/1);G12944;L-Asparagine-15N2 monohydrate, 98 atom % 15N, 98% (CP)

Chemical Property of (2S)-2,4-Bis(15N)(azanyl)-4-oxobutanoic acid;hydrate

Chemical Property:

• Melting Point: 233-235 °C(lit.)
• PSA: 115.64000
• LogP: -0.39000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 152.05812659
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

L-Asparagine-15N2Hydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)N)C(=O)N.O
• Isomeric SMILES: C([C@@H](C(=O)O)[15NH2])C(=O)[15NH2].O
• Uses: L-Asparagine:H2o (15n2, 98%) is an isotope labelled L-Asparagine Hydrate, a naturally occurring amino acid that is not a essential for humans and can be synthesized from central metabolic pathway intermediates.