Molecule structure of Diazoacetylglycine ethyl ester (CAS NO.999-29-1):
IUPAC Name: 2-Diazonio-1-[(2-ethoxy-2-oxoethyl)amino]ethenolate
Molecular Weight: 171.15396 g/mol
Molecular Formula: C6H9N3O3
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Exact Mass: 171.064391
MonoIsotopic Mass: 171.064391
Topological Polar Surface Area: 89.5
Heavy Atom Count: 12
Complexity: 227
Canonical SMILES: CCOC(=O)CNC(=C[N+]#N)[O-]
InChI: InChI=1S/C6H9N3O3/c1-2-12-6(11)4-8-5(10)3-9-7/h3,8H,2,4H2,1H3
InChIKey: FCWKFVYNIGDHQM-UHFFFAOYSA-N
Classification Code of Diazoacetylglycine ethyl ester (CAS NO.999-29-1): mutation data
1. | mmo-sat 10 µg/plate | AMACCQ Antimicrobial Agents and Chemotherapy. 6 (1974),655. | ||
2. | dns-mus:fbr 2500 mmol/L | JCROD7 Journal of Cancer Research and Clinical Oncology. 94 (1979),7. | ||
3. | ipr-mus LD50:1149 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),690. |
EPA Genetic Toxicology Program.
Moderately toxic by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
Diazoacetylglycine ethyl ester (CAS NO.999-29-1) is also named as Ethyl diazoacetylglycinate ; AI3-52379 ; CCRIS 928 ; M 405 ; N-Diazoacetylglycine ethyl ester ; NSC 58406 ; O-Ethyl N-diazoacetylglycine ; Glycine, N-(diazoacetyl)-, ethyl ester ; N-Diazoacetylglycine ethyl ester .
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