chempirical

Ethyl azidoacetate

C4H7N3O2CAS 637-81-0129.12 g/mol

Open in Covalent MOL file
OONN+N−
AzideEster

Properties

Molecular formula
C4H7N3O2
Molar mass
129.12 g/mol
Exact mass
129.0538 Da
Density
1.1181 g/mL (at 25 °C)
Boiling point
74–75 °C (at 23 Torr)
logP
0.86Crippen estimate
Polar surface area
75.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
637-81-0
SMILES
CCOC(=O)CN=[N+]=[N-]
InChIKey
HVJJYOAPXBPQQV-UHFFFAOYSA-N
InChI
InChI=1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3

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Names and synonyms

8 names
  • Acetic acid, 2-azido-, ethyl ester
  • Acetic acid, azido-, ethyl ester
  • Ethyl α-azidoacetate
  • (Ethoxycarbonyl)methyl azide
  • Ethyl 2-azidoacetate
  • Azidoacetic acid ethyl ester
  • NSC 84132
  • 2-Azidoacetate ethyl ester

Work with Ethyl azidoacetate

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

Similar compounds

Ethyl isocyanatoacetate2949-22-650 % similar Ethyl 2-isothiocyanatoacetate24066-82-849 % similar Ethyl N-formylglycinate3154-51-649 % similar Diethyl malonate105-53-348 % similar Diethyl succinate123-25-148 % similar Ethyl acetamidoacetate1906-82-747 % similar Ethyl propionate105-37-347 % similar Diethyl glutarate818-38-247 % similar

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

Same formula

2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one135302-13-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook