N-(1-에틸프로필)-3,4-디메틸아닐린

N-(1-ethylpropyl)-3,4-dimethylaniline

HCID 91984

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 56038-89-2
표준 SMILES: CCC(CC)Nc1ccc(C)c(C)c1
InChIKey: ZOTRFGNOTDLOAU-UHFFFAOYSA-N
분자식: C13H21N
평균 분자량: 191.31 g/mol
단동위원소 질량: 191.16739967

이름 및 식별자

우선 이름: N-(1-ethylpropyl)-3,4-dimethylaniline
IUPAC: 3,4-dimethyl-N-pentan-3-ylaniline
현지명: N-(1-에틸프로필)-3,4-디메틸아닐린
영어명: N-(1-Ethylpropyl)-3,4-dimethylaniline
분자식: C13H21N
분자량: 191.31

이름 및 동의어

56038-89-2N-(1-ethylpropyl)-3,4-dimethylanilineN-(1-Ethylpropyl)-3,4-XylidineBenzenamine, N-(1-ethylpropyl)-3,4-dimethyl-DTXSID4028040L2PBQ2GDBJUNII-L2PBQ2GDBJBenzenamine, N-(1-ethylpropyl)-4,5-dimethyl-N-(1-ethylpropyl)-3,4-dimethylBenzenamineDTXCID008040J1.581.716JRefChem:201953

이름 더 보기

N-(1-에틸프로필)-3,4-디메틸아닐린N-3-pentyl-3,4-dimethylaniline3,4-dimethyl-N-pentan-3-yl-anilineN-(1-Ethylpropyl)-3,4-diMethylaniline, N-(1-Ethylpropyl)-3,4-xylidine

611-347-83,4-dimethyl-N-(pentan-3-yl)aniline3,4-dimethyl-N-pentan-3-ylanilineMFCD05662422N-(1-Ethylpropyl)-34-dimethylanilineN-(1-Ethylpropyl)-3,4-dimethylbenzenamine; N-(1-Ethylpropyl)-3,4-dimethylaniline;N-(1-ethylpropyl)-3,4-dimethyl-anilineN-3-pentyl-3,4-xylidine

데이터베이스 식별자

CAS: 56038-89-2
PubChem CID: 91984
DTXSID: DTXSID4028040
ChEMBL: CHEMBL3184416
UNII: L2PBQ2GDBJ
EC Number: 611-347-8
Nikkaji: J1.581.716J

물성

구조 계산 물성

XLogP: 5
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 151

실험 및 물리화학적 성질

Physical DescriptionLiquid

Collision Cross Section151.1 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4028040]

물리화학적 성질

끓는 점: 290.2 · 290.2±9.0 °C(Predicted)
밀도: 0.92 · 0.920±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
용해도: 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
물리적 상태: 기름
산도 계수 (pKa): 6.11 · 6.11±0.33(Predicted)
색상: 옅은 갈색에서 갈색까지
EPA: Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl- (56038-89-2)

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 1건

Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

U.S. Production2023: 10,000,000 - <50,000,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-: ACTIVE

응용 분야

용도N-(1-Ethylpropyl)-3,4-xylidine is a useful compound in the synthesis of dinitro herbicides via one-step dinitration with nitric acid in continuous-flow microreactor.

상·하류 제품 정보

상류 원료

공급사38 곳

宁波振岳医药科技有限公司19817745290 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]

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