N-Methylbenzamide
Properties
- Molecular formula
- C8H9NO
- Molar mass
- 135.17 g/mol
- Exact mass
- 135.0684 Da
- Melting point
- 82 °C
- Boiling point
- 291 °C
- Water solubility
- < 1 g/L (20 °C)
- logP
- 1.62Crippen estimate
- Polar surface area
- 32.6 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.8% of notifiers
- H315 Causes skin irritation10.9% of notifiers
- H319 Causes serious eye irritation10.9% of notifiers
- H335 May cause respiratory irritation10.9% of notifiers
Aggregated from 46 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
613-93-4SMILES
CN=C(O)c1ccccc1InChIKey
NCCHARWOCKOHIH-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzamide, N-methyl-
- N-Methylbenzenecarboxamide
- NSC 42944
Work with N-Methylbenzamide
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Dibenzoylhydrazine787-84-870 % similar
N′-Methylnicotinamide114-33-060 % similar
Benzohydroxamic acid495-18-158 % similar
Benzanilide93-98-158 % similar
Benzhydrylidene methylamine13280-16-556 % similar
Benzoylhydrazine613-94-556 % similar
N-(Hydroxymethyl)benzamide6282-02-652 % similar
Densil P2527-58-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.