chempirical

Ethyl benzimidate hydrochloride

C9H12ClNOCAS 5333-86-8185.65 g/mol

Open in Covalent MOL file
OHNHCl

Properties

Molecular formula
C9H12ClNO
Molar mass
185.65 g/mol
Exact mass
185.0607 Da
Melting point
119–120 °C
logP
2.47Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
5333-86-8
SMILES
CCOC(=N)c1ccccc1.Cl
InChIKey
MODZVIMSNXSQIH-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO.ClH/c1-2-11-9(10)8-6-4-3-5-7-8;/h3-7,10H,2H2,1H3;1H

Weigh it out

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

Names and synonyms

6 names
  • Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
  • Benzimidic acid, ethyl ester, hydrochloride
  • Benzenecarboximidic acid, ethyl ester, hydrochloride
  • Benzimidoyl ethyl ether hydrochloride
  • Ethyl iminobenzoate hydrochloride
  • Ethyl benzenecarboximidate hydrochloride

Work with Ethyl benzimidate hydrochloride

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 benzoate93-89-050 % similar Ethyl D-phenylglycinate hydrochloride17609-48-243 % similar Ethyl acetimidate hydrochloride2208-07-342 % similar Ethyl (2E)-4-oxo-4-phenyl-2-butenoate15121-89-841 % similar N-(Diphenylmethylene)glycine ethyl ester69555-14-241 % similar Benzamidine hydrochloride1670-14-041 % similar (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride167834-24-441 % similar Phenylalanine ethyl ester hydrochloride3182-93-241 % similar

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

Same formula

(N)Chroman-4-amine hydrochloride1035093-81-2 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine84006-10-0

Elsewhere

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