2-Dimethylaminoethyl benzoate

C11H15NO2CAS 2208-05-1193.25 g/mol

Open in Covalent MOL file
NOO
EsterTertiary amine

Properties

Molecular formula
C11H15NO2
Molar mass
193.25 g/mol
Exact mass
193.1103 Da
Boiling point
152–154 °C (at 3 Torr)
logP
1.41Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2208-05-1
SMILES
CN(C)CCOC(=O)c1ccccc1
InChIKey
KJSGODDTWRXQRH-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

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Names and synonyms

5 names
  • Benzoic acid, 2-(dimethylamino)ethyl ester
  • Ethanol, 2-(dimethylamino)-, benzoate
  • N,N-Dimethylaminoethyl benzoate
  • N,N-Dimethyl(2-benzoyloxyethyl)amine
  • Gencure DMB

Work with 2-Dimethylaminoethyl benzoate

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

(Dimethylamino)ethyl p-aminobenzoate10012-47-269 % similar Propyl benzoate2315-68-662 % similar Di-O-benzoyldiethylene glycol120-55-861 % similar Phenylethyl benzoate94-47-359 % similar Butyl benzoate136-60-758 % similar 2-Bromoethyl benzoate939-54-857 % similar 2-Chloroethyl benzoate939-55-957 % similar Amethocaine94-24-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-(dimethylamino)benzoate10287-53-3 β-Amino-4-ethylbenzenepropanoic acid117391-52-3 (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-5 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-9 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-4 tert-Butyl 4-aminobenzoate18144-47-3 N,N-Diethyl-2-hydroxybenzamide19311-91-2 1-Methylethyl 3-amino-4-methylbenzoate21447-47-2

Elsewhere

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