N-(2-Methylphenyl)formamide
Properties
- Molecular formula
- C8H9NO
- Molar mass
- 135.17 g/mol
- Exact mass
- 135.0684 Da
- Melting point
- 62 °C
- Boiling point
- 288 °C
- logP
- 1.56Crippen estimate
- Polar surface area
- 29.1 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed97.5% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P330, P337+P317, P342+P316, P403, P501
Identifiers
CAS number
94-69-9SMILES
CC1=CC=CC=C1NC=OInChIKey
ZXTLGJAARBNQGK-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO/c1-7-4-2-3-5-8(7)9-6-10/h2-6H,1H3,(H,9,10)Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 8.05 (s, 1H), 7.40 (br s, 1H), 7.37 (dd, J = 7.7, 1.6 Hz, 1H), 7.11 (dd, J = 7.7, 1.6 Hz, 1H), 7.08 (m, J = 7.7, 1.6 Hz, 1H), 6.97 (m, J = 7.7, 1.6 Hz, 1H), 2.35 (s, 3H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 163.1, 138.8, 129.6, 129.3, 125.7, 123.9, 120.2, 19.8.[M + H]+
[M + H]+ Calcd for C8H10NO 136.0757[M + Na]+
[M + Na]+ Calcd for C8H9NNaO 158.0576[M − H]−
[M − H]− Calcd for C8H8NO 134.0611Elemental analysis
Anal. Calcd for C8H9NO: C, 71.09; H, 6.71; N, 10.36.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Formamide, N-(2-methylphenyl)-
- o-Formotoluidide
- o-Methylformanilide
- o-Tolylformamide
- o-Methyl-N-formylaniline
- 2′-Methylformanilide
- N-o-Tolylformamide
- N-Formyl-o-toluidine
- NSC 406128
- NSC 62002
- N-Formyl-2-methylaniline
Work with N-(2-Methylphenyl)formamide
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
N-Methyl-o-toluidine611-21-250 % similar
N-(2-Methylphenyl)acetamide120-66-147 % similar
Formanilide103-70-846 % similar
2-Methylphenylhydrazine hydrochloride635-26-745 % similar
N-Ethyl-o-toluidine94-68-845 % similar
N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide480425-36-345 % similar
N-(2-Methylphenyl)urea614-77-744 % similar
N,N′-Bis(2-methylphenyl)thiourea137-97-344 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.