chempirical

Methyl 2-azidoacetate

C3H5N3O2CAS 1816-92-8115.09 g/mol

Open in Covalent MOL file
OONN+N−
AzideEster

Properties

Molecular formula
C3H5N3O2
Molar mass
115.09 g/mol
Exact mass
115.0382 Da
logP
0.47Crippen estimate
Polar surface area
75.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
1816-92-8
SMILES
COC(=O)CN=[N+]=[N-]
InChIKey
RXYCUKSOYJWGPE-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N3O2/c1-8-3(7)2-5-6-4/h2H2,1H3

Weigh it out

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Names and synonyms

1 names
  • Azidoacetic acid methyl ester

Work with Methyl 2-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 azidoacetate637-81-061 % similar Methyl 2-isothiocyanatoacetate21055-37-845 % similar 2-Azidoacetic acid18523-48-345 % similar Dimethyl succinate106-65-044 % similar Dimethyl malonate108-59-844 % similar Dimethyl glutarate1119-40-043 % similar Methyl propionate554-12-141 % similar Dimethyl adipate627-93-041 % similar

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

Same formula

1-Aminohydantoin6301-02-6

Elsewhere

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