3,4-Dimethylbenzamide

C9H11NOCAS 5580-33-6149.19 g/mol

Open in Covalent MOL file
NH2O
Amide

Properties

Molecular formula
C9H11NO
Molar mass
149.19 g/mol
Exact mass
149.0841 Da
logP
1.40Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
5580-33-6
SMILES
Cc1ccc(C(N)=O)cc1C
InChIKey
INGCXEIJXKQPJH-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)

Weigh it out

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

Names and synonyms

1 names
  • Benzamide, 3,4-dimethyl-

Work with 3,4-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

4-Bromo-3-methylbenzamide170229-98-867 % similar 3,4-Dimethylacetophenone3637-01-259 % similar 3-Methyl-4-nitrobenzamide99584-85-757 % similar 3,4-Dimethylbenzoyl chloride21900-23-257 % similar 3,4-Dimethylbenzoic acid619-04-557 % similar Terephthalamide3010-82-054 % similar 4-Methylbenzamide619-55-654 % similar 3,4-Dimethylbenzophenone2571-39-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

para-Dimethylaminobenzaldehyde100-10-7 4-Methylacetanilide103-89-9 1-(3-Aminophenyl)-1-propanone1197-05-3 N-(2-Methylphenyl)acetamide120-66-1 (1S,2R)-(-)-1-Amino-2-indanol126456-43-7 (+)-cis-1-Amino-2-indanol136030-00-7 1,2,3,4-Tetrahydroisoquinolin-6-ol14446-24-3 (1R,2R)-(-)-trans-1-Amino-2-indanol163061-73-2

Elsewhere

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