N-(2,4-Dimethylphenyl)acetamide

HCID 16303

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2050-43-3
표준 SMILES: CC(=O)Nc1ccc(C)cc1C
InChIKey: PJEIIBXJUDOMAN-UHFFFAOYSA-N
분자식: C10H13NO
평균 분자량: 163.22 g/mol
단동위원소 질량: 163.09971404

이름 및 식별자

우선 이름: N-(2,4-Dimethylphenyl)acetamide
IUPAC: N-(2,4-dimethylphenyl)acetamide
영어명: 2',4'-Dimethylacetanilide
분자식: C10H13NO
분자량: 163.22

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 167

실험 및 물리화학적 성질

Collision Cross Section136.2 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044868]

물리화학적 성질

녹는점: 129 · 129-132 °C(lit.)
끓는 점: 290.31 °C · 290.31°C (rough estimate)
밀도: 1.0508 · 1.0508 (rough estimate)
굴절률: 1.5718 · 1.5718 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 15.14 · 15.14±0.70(Predicted)
물리적 상태: 가루
색상: 하얀색
InChI: 1S/C10H13NO/c1-7-4-5-10(8(2)6-7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
InChIKey: PJEIIBXJUDOMAN-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(C)cc1C
EPA: 2 · 2',4'-Dimethylacetanilide (2050-43-3)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AN7420000
독성: LD50 orl-mus: 1300 mg/kg TXAPA9 19,20,71
HS 번호: 2924297099
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36/37
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

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

용도 및 제조

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

응용 분야

용도2′,4′-Dimethylacetanilide (N-acetyl-2,4-xylidine) may be used as a starting material in the synthesis of 5-acetamido-2,4-dimethylaniline.

일반 설명2′,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.

상·하류 제품 정보

하류 제품

2-클로로-6,8-디메틸퀴놀린-3-카르복스알데히드

공급사62 곳

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]

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