3',4'-Dimethylacetanilide

HCID 75144

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Basic information

CAS: 2198-54-1
Standard SMILES: CC(=O)Nc1ccc(C)c(C)c1
InChIKey: UAOIEEWQVAXCFY-UHFFFAOYSA-N
Molecular formula: C10H13NO
Average molar mass: 163.22 g/mol
Monoisotopic mass: 163.09971404

Names & identifiers

Preferred name: 3',4'-Dimethylacetanilide
IUPAC: N-(3,4-dimethylphenyl)acetamide
English name: 3',4'-Dimethylacetanilide
Molecular formula: C10H13NO
Molecular weight: 163.22

Names & synonyms

N-(3,4-Dimethylphenyl)acetamide3',4'-Dimethylacetanilide3,4-DimethylacetanilideN-Acetyl-3,4-xylidineAcetamide, N-(3,4-dimethylphenyl)-3',4'-Acetoxylidide3',4'-AcetoxylideEZ7L6SEZ3JNSC 25232EINECS 218-597-3UNII-EZ7L6SEZ3JNSC-25232

Show more names

3,4-DMA3’,4’-acetoxylidide3,4-dimethyl-n-acetanilide3,4-Dimethylphenylacetamide3,4-DIMETHYLACETANILIDE 98+%3',4'-Dimethylacetanilide>

BRN 0387706AI3-52507DTXSID801763934-12-00-02507 (Beilstein Handbook Reference)RefChem:90239DTXCID1098884ACETAMIDE, N-(3,4-DIMETHYLPHENYL)-(9CI)UAOIEEWQVAXCFY-UHFFFAOYSA-N

Database identifiers

CAS: 2198-54-1
PubChem CID: 75144
DTXSID: DTXSID80176393
UNII: EZ7L6SEZ3J
EC Number: 218-597-3
Nikkaji: J33.809E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Experimental & physicochemical properties

LogP2.1

Physicochemical properties

Melting point: 96 · 96-98°C
Boiling point: 290.31 °C · 290.31°C (rough estimate)
Density: 1.0508 · 1.0508 (rough estimate)
refractive index: 1.54 · 1.5400 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 15.13 · 15.13±0.70(Predicted)
color: Crystals from aqueous ethanol
BRN: 387706 · 387706
CAS DataBase Reference: 2198 · 2198-54-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 7 L6SEZ3J · EZ7L6SEZ3J
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312+P330-P501-P301+P312a-P330-P501a
Risk Statements: 22 · 22
Safety Statements: 22 · 22-36/37-36
RTECS: 7500000 · AN7500000
HS Code: 29214200 · 29214200
Toxicity: 50 orl-mus: · LD50 orl-mus: 1030 mg/kg TXAPA9 19,20,71

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

rtecs: AN7500000
hs_code: 29214200
Toxicity: LD50 orl-mus: 1030 mg/kg TXAPA9 19,20,71
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-36/37-36
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312+P330-P501-P301+P312a-P330-P501a