Methyl 2-azidoacetate

C₃H₅N₃O₂CAS 1816-92-8115.09 g/mol

Open in Covalent MOL file

Azide Ester

Properties

Molecular formula: C₃H₅N₃O₂
Molar mass: 115.09 g/mol
Exact mass: 115.0382 Da
logP: 0.47Crippen estimate
Polar surface area: 75.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

Type any one amount. The others follow from the molar mass.

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 Dimethyladipate627-93-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Aminohydantoin6301-02-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook