1H-Tetrazole-5-carboxylic acid ethyl ester sodium salt

C₄H₅N₄NaO₂CAS 96107-94-7164.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅N₄NaO₂
Molar mass: 164.10 g/mol
Exact mass: 164.0310 Da
logP: -3.99Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Hazards

Danger

H228 Flammable solid100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P280, P370+P378

Identifiers

CAS number

96107-94-7

SMILES

CCOC(=O)C1=NN=N[N-]1.[Na+]

InChIKey

VQNJMUUEIMIRJX-UHFFFAOYSA-M

InChI

InChI=1S/C4H6N4O2.Na/c1-2-10-4(9)3-5-7-8-6-3;/h2H2,1H3,(H,5,6,7,8,9);/q;+1/p-1

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Names and synonyms

1 names

Ethyl 1H-tetrazole-5-carboxylate sodium salt

Work with 1H-Tetrazole-5-carboxylic acid ethyl ester sodium salt

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 1,3-thiazole-4-carboxylate14527-43-643 % similar Sodium ethyl p-hydroxybenzoate35285-68-842 % similar Triethyl 1,3,5-benzenetricarboxylate4105-92-441 % similar Diethyl terephthalate636-09-941 % similar Ethyl tetrazole-5-carboxylate55408-10-140 % similar 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester89793-12-440 % similar 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-540 % similar Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-940 % similar

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

Elsewhere

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