4-Amino-N,N-dimethylbenzamide

C₉H₁₂N₂OCAS 6331-71-1164.21 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₉H₁₂N₂O
Molar mass: 164.21 g/mol
Exact mass: 164.0950 Da
logP: 0.97Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 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

6331-71-1

SMILES

CN(C)C(=O)C1=CC=C(C=C1)N

InChIKey

QEPGWLBMAAEBCP-UHFFFAOYSA-N

InChI

InChI=1S/C9H12N2O/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6H,10H2,1-2H3

Weigh it out

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

Work with 4-Amino-N,N-dimethylbenzamide

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

N,N-Dimethylbenzamide611-74-561 % similar 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid405520-68-555 % similar (4-Aminophenyl)(morpholino)methanone51207-86-453 % similar 4,4'-Diaminobenzophenone611-98-350 % similar P-Aminoacetophenone99-92-350 % similar 4-Aminobenzamide2835-68-948 % similar 4-Amino-N-methylphthalimide2307-00-846 % similar Methyl 4-aminobenzoate619-45-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fenuron101-42-8 N-(4-Aminophenyl)-N-methylacetamide119-63-1 N-(3-Aminophenyl)propanamide22987-10-6 2,4-Dimethylphenylurea2990-02-5 Phenylalaninamide5241-58-7

Elsewhere

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