N-Methylacetanilide

HCID 11364

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 579-10-2
Standard SMILES: CC(=O)N(C)c1ccccc1
InChIKey: LMTGCJANOQOGPI-UHFFFAOYSA-N
Molecular formula: C9H11NO
Average molar mass: 149.19 g/mol
Monoisotopic mass: 149.08406397

Names & identifiers

Preferred name: N-Methylacetanilide
IUPAC: N-methyl-N-phenylacetamide
English name: N-Methylacetanilide
Molecular formula: C9H11NO
Molecular weight: 149.19

Names & synonyms

N-MethylacetanilideN-Methyl-N-phenylacetamide579-10-2AcetomethylanilideAcetamide, N-methyl-N-phenyl-6MR085F8DWNSC-2140DTXSID8060373RefChem:830659DTXCID7042279209-436-8Methylazol

Show more names

Exalgineexpalginn-methyl-acetanilidACET-N-METHYANILIDE

MethylantifebrinExalginOxalginN-Acetyl-N-methylanilinePhenylmethylacetamideACETANILIDE, N-METHYL-N-Acetyl-methylanilineMFCD00026181

Database identifiers

CAS: 579-10-2
PubChem CID: 11364
DTXSID: DTXSID8060373
ChEMBL: CHEMBL481312
UNII: 6MR085F8DW
EC Number: 209-436-8
Nikkaji: J7.429B

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Experimental & physicochemical properties

Kovats Retention Index1260

Physicochemical properties

Melting point: 101 °C · 101°C
Boiling point: 146 °C · 146 °C / 30mmHg
Density: 1.0036 · 1.0036
refractive index: 1.576 · 1.5760
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 0.54 · 0.54±0.50(Predicted)
color: White to Almost white
Water Solubility: 24.96 g/L · 24.96g/L(25 ºC)
CAS DataBase Reference: 579 · 579-10-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 6 MR085F8DW · 6MR085F8DW
EPA Substance Registry System: Acetamide, N-methyl-N-phenyl- (579-10-2)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310+P330-P405-P501
Hazard Codes: T
Risk Statements: 36 · 36/37/38-25
Safety Statements: 26 · 26-36/37/39-45-24/25
RIDADR: 2811 · UN 2811 6.1/PG 3
RTECS: 4900000 · AE4900000
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29242990 · 29242990
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

tsca: TSCA listed
rtecs: AE4900000
ridadr: UN 2811 6.1/PG 3
hs_code: 29242990
risk_code: 36/37/38-25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 26-36/37/39-45-24/25
hazard_class: 6.1
packing_group: III
Hazard statements: H301
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P264-P270-P301+P310+P330-P405-P501