chempirical

2,3-Dimethylbenzamide

C9H11NOCAS 5580-34-7149.19 g/mol

Open in Covalent MOL file
H2NO

Properties

Molecular formula
C9H11NO
Molar mass
149.19 g/mol
Exact mass
149.0841 Da
Melting point
156 °C
logP
2.19Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5580-34-7
SMILES
Cc1cccc(C(=N)O)c1C
InChIKey
IZAYISYTIWLBNB-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H2,10,11)

Weigh it out

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Names and synonyms

2 names
  • Benzamide, 2,3-dimethyl-
  • Hemellitamide

Work with 2,3-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

2,3-Dimethylbenzoic acid603-79-263 % similar Phthalamide88-96-054 % similar 2-Iodobenzamide3930-83-448 % similar 2-Chlorobenzamide609-66-548 % similar 2-Methyl-3-pyridinecarboxamide58539-65-447 % similar 1-Naphthalenecarboxamide2243-81-447 % similar Mefenamic acid61-68-746 % similar 3-Methylbenzamide618-47-346 % similar

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

Same formula

Para-dimethylaminobenzaldehyde100-10-7 P-Acetotoluidide103-89-9 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 6-Hydroxy-1,2,3,4-tetrahydroisoquinoline14446-24-3 (1S,2S)-1-Amino-2-indanol163061-74-3

Elsewhere

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