N,N-Diethylbenzamide

C₁₁H₁₅NOCAS 1696-17-9177.25 g/mol

Open in Covalent MOL file

Amide

Properties

Molecular formula: C₁₁H₁₅NO
Molar mass: 177.25 g/mol
Exact mass: 177.1154 Da
Density: 1.01 g/mL (at 20 °C)
Melting point: 127–128 °C
Boiling point: 130–132 °C (at 9 Torr)
logP: 2.17Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation90.9% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H335 May cause respiratory irritation88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1696-17-9

SMILES

CCN(CC)C(=O)c1ccccc1

InChIKey

JLNGEXDJAQASHD-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

Benzamide, N,N-diethyl-
Benzoic acid diethylamide
R 2
Benzoyldiethylamine
R 2 (Insect repellent)
Benzoic acid N,N-diethylamide
Rebemid
Rebemide
NSC 16060

Work with N,N-Diethylbenzamide

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

DEET134-62-369 % similar N,N-Diethylnicotinamide59-26-764 % similar Benzoylpiperidine776-75-060 % similar 1-(4-Benzoyl-1-piperazinyl)-1-propanone314728-85-359 % similar 4-(Diethylcarbamoyl)phenylboronic Acid389621-80-159 % similar N,N-Diethylthiophene-3-carboxamide73540-75-758 % similar 3-(N,N-Diethylaminocarbonyl)phenylboronic acid237413-05-757 % similar 1-Benzoylpiperazine13754-38-656 % similar

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

Same formula

(3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-4 (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-8 2-(3-Methoxyphenyl)pyrrolidine103861-77-4 4-N-Butylbenzamide107377-07-1 4-(Diethylamino)benzaldehyde120-21-8 1-Propanol,2-methyl-2-[(phenylmethylene)amino]-22563-90-2 4-Phenoxypiperidine3202-33-3 N-tert-Butyl-α-phenylnitrone3376-24-7

Elsewhere

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