N-methyl-2-toluamide

HCID 75111CAS 2170-09-4

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Basic information

Standard SMILES: CNC(=O)c1ccccc1C
InChIKey: OABGZRFNYNFHCS-UHFFFAOYSA-N
Molecular formula: C9H11NO
Average molar mass: 149.19 g/mol
Monoisotopic mass: 149.08406397

Names & identifiers

Preferred name: N-methyl-2-toluamide
IUPAC: N,2-dimethylbenzamide
English name: N-Methyl-o-toluamide
Molecular formula: C9H11NO
Molecular weight: 149.19

Names & synonyms

N,2-Dimethylbenzamide2170-09-4N-Methyl-o-toluamideN-Methyl-2-toluamideN-methyl-2-methylbenzamideNSC-1787559M98XD933OABGZRFNYNFHCS-UHFFFAOYSA-DTXSID50176087O-METHYL-N-METHYLBENZAMIDEEINECS 218-519-8NSC 17875

Show more names

100157N,o-Dimethylbenzamideo-Tolylsαuremethylamid2,N-Dimethyl-benzamideBenzamide,N,2-dimethyl-N-Methyl-0-Toluamide99%N-Methyl-o-toluamide,99%

AI3-30032RefChem:163694DTXCID8098578218-519-8InChI=1/C9H11NO/c1-7-5-3-4-6-8(7)9(11)10-2/h3-6H,1-2H3,(H,10,11)OABGZRFNYNFHCS-UHFFFAOYSA-NBenzamide, N,2-dimethyl-MFCD00008287

Database identifiers

CAS: 2170-09-4
PubChem CID: 75111
DTXSID: DTXSID50176087
UNII: 59M98XD933
EC Number: 218-519-8
Nikkaji: J236.155H

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Physicochemical properties

Melting point: 73 · 73-77 °C
Boiling point: 270.27 °C · 270.27°C (rough estimate)
Density: 1.021 · 1.021
refractive index: 1.524 · 1.524
storage temp.: 2 · 2-8°C
pka: 15.02 · 15.02±0.46(Predicted)
FDA UNII: 59 M98XD933 · 59M98XD933
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 37 · 37/39-26

Safety & regulation

Safety data

risk_code: 36/37/38-22
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn
safety_code: 37/39-26
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501