N-(2,4-Dimethylphenyl)acetamide

HCID 16303
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Basic information

CAS
2050-43-3
Standard SMILES
CC(=O)Nc1ccc(C)cc1C
InChIKey
PJEIIBXJUDOMAN-UHFFFAOYSA-N
Molecular formula
C10H13NO
Average molar mass
163.22 g/mol
Monoisotopic mass
163.09971404

Names & identifiers

Preferred name
N-(2,4-Dimethylphenyl)acetamide
IUPAC
N-(2,4-dimethylphenyl)acetamide
English name
2',4'-Dimethylacetanilide
Molecular formula
C10H13NO
Molecular weight
163.22

Names & synonyms

N-(2,4-Dimethylphenyl)acetamide2',4'-Dimethylacetanilide2,4-DimethylacetanilideAcetamide, N-(2,4-dimethylphenyl)-2',4'-Acetoxylidine2',4'-ACETOXYLIDIDEN-Acetyl-2,4-xylidineAcetanilide, 2',4'-dimethyl-NSC 37567N-Acetoxy-2,4-dimethylanilineDTXSID0044868EINECS 218-088-6
Show more names
2,4-DMA2’,4’-acetoxylidine4-Acetamido-m-xylene-Dimethylacetanilide2,4-ACETOXYLIDIDE 99%Lidocaine Impurity 42
UNII-3U0W52HZ1HBRN 26904293U0W52HZ1HAI3-21210NSC-37567DTXCID80248684-12-00-02548 (Beilstein Handbook Reference)MBR-22441

Database identifiers

CAS
2050-43-3
PubChem CID
16303
DTXSID
DTXSID0044868
ChEMBL
CHEMBL3188564
UNII
3U0W52HZ1H
EC Number
218-088-6
Nikkaji
J55.068J

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

Collision Cross Section136.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044868]

Physicochemical properties

Melting point
129 · 129-132 °C(lit.)
Boiling point
290.31 °C · 290.31°C (rough estimate)
Density
1.0508 · 1.0508 (rough estimate)
refractive index
1.5718 · 1.5718 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
DMSO (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
AN7420000
hs_code
2924297099
Toxicity
LD50 orl-mus: 1300 mg/kg TXAPA9 19,20,71

Chemistry & industry

Pharmacology

Metabolism/MetabolitesN-(2,4-Dimethylphenyl)acetamide is a known human metabolite of 2,4-dimethylaniline.

Uses & manufacturing

General Manufacturing InformationAcetamide, N-(2,4-dimethylphenyl)-: INACTIVE

Applications

Uses2′,4′-Dimethylacetanilide (N-acetyl-2,4-xylidine) may be used as a starting material in the synthesis of 5-acetamido-2,4-dimethylaniline.

General Description2′,4′-Dimethylacetanilide (N-(2,4-dimethylphenyl)acetamide) is an acetanilide derivative. Its carcinogenic effect has been studied on the liver in suckling mice. Its boiling point and melting point have been determined.

Upstream & downstream products

Suppliers62 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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