Basic information
- CAS
999-29-1- Standard SMILES
CCOC(=O)CNC(=O)C=[N+]=[N-]- InChIKey
GSSAWWWUJAYYLB-UHFFFAOYSA-N- Molecular formula
- C6H9N3O3
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.06439116
Overview
inactivates both the active & inactive form renin
Names & identifiers
- Preferred name
- Glycine, N-(diazoacetyl)-, ethyl ester
- IUPAC
- ethyl 2-[(2-diazoacetyl)amino]acetate
- English name
- ethyl diazoacetylglycinate
- Molecular formula
- C6H9N3O3
- Molecular weight
- 171.15
Names & synonyms
999-29-1Ethyl diazoacetylglycinateN-Diazoacetylglycine ethyl esterGLYCINE, N-(DIAZOACETYL)-, ETHYL ESTERZ9Z37Y830QRefChem:922346Diazoacetylglycine ethyl esterO-Ethyl N-diazoacetylglycineM 405NSC-58406ethyl 2-((2-diazoacetyl)amino)acetateCCRIS 928
Show more names
N-DIAZOACETYLGLYCINEETHYLESTERN-(2-diazoacetyl)glycine ethyl ester
NSC 58406UNII-Z9Z37Y830QAI3-52379N-(Diazoacetyl)glycine ethyl esterdiazoacetylglycine ethylesterEthyl N-(diazoacetyl)glycinateDTXSID30878936NSC58406
Database identifiers
- CAS
999-29-1- PubChem CID
- 13832
- DTXSID
DTXSID30878936- UNII
- Z9Z37Y830Q
- Nikkaji
- J49.228K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
LogP-0.08
Physicochemical properties
- Boiling point
- 301.12 °C · 301.12°C (rough estimate)
- Density
- 1.3994 · 1.3994 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- FDA UNII
- 9 Z37Y830Q · Z9Z37Y830Q
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…