3-디메틸아미노아니솔

3-Methoxy-N,N-dimethylbenzenamine

HCID 139977CAS 15799-79-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc(N(C)C)c1
InChIKey: MOYHVSKDHLMMPS-UHFFFAOYSA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

이름 및 식별자

우선 이름: 3-Methoxy-N,N-dimethylbenzenamine
IUPAC: 3-methoxy-N,N-dimethylaniline
현지명: 3-디메틸아미노아니솔
영어명: 3-Dimethylaminoanisole
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

15799-79-83-Methoxy-N,N-dimethylbenzenamineDTXSID00166337RefChem:1068138DTXCID60888283-Methoxy-N,N-dimethylaniline3-DimethylaminoanisoleN,N-Dimethyl-m-anisidineMFCD00051779Benzenamine, 3-methoxy-N,N-dimethyl-m-Methoxy- N,N-dimethylanilinSY049841

이름 더 보기

3-디메틸아미노아니솔Neostigmine Impurity 24m-(Dimethylamino)anisole3-DIMETHYLAMINOANISOLE 98%N,N-Dimethyl-m-anisidine,97%N,N-Dimethyl-m-anisidine >N,N-Dimethyl-3-methoxyanilinem-Methoxy-N,N-dimethylaniline

3-Methoxy-N,N-dimethylaniline, AldrichCPREN300-1703444(3-methoxyphenyl)dimethylamine3-Dimethylaminoa3-dimethylamino-anisoleSCHEMBL820669orb3030024SCHEMBL2538467

데이터베이스 식별자

CAS: 15799-79-8
PubChem CID: 139977
DTXSID: DTXSID00166337
EC Number: 677-877-7
Nikkaji: J148.692F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 12.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 114

실험 및 물리화학적 성질

Ionization Efficiency · 6건

Positive

3.89

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

물리화학적 성질

끓는 점: 113 · 113-114 °C (6 mmHg)
밀도: 1.031 · 1.031
굴절률: 1.5575 · 1.5575-1.5595
인화점: 113 · 113-114°C/6mm
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 4 · 4+-.0.10(Predicted)
Specific Gravity: 1.03 · 1.03
색상: White to Yellow to Green
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다.
BRN: 1423591 · 1423591
InChI: InChI=1S/C9H13NO/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H3
InChIKey: MOYHVSKDHLMMPS-UHFFFAOYSA-N
SMILES: C1(N(C)C)=CC=CC(OC)=C1
NIST: 3 · 3-Methoxy-N,N-dimethylbenzenamine(15799-79-8)

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 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: WGK 3
ridadr: 2810
HS 번호: 2922290090
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36/37/39-26-23
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도N,N-Dimethyl-m-anisidine is a phenyl amide with antineoplastic and antibacterial properties. It can be used to produce C20H19NO4. It will need reagent tributyl orthoformate and solvent propan-2-ol with reaction time of 90 min.

상·하류 제품 정보

상류 원료

3-METHOXY-2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE,95.0+%(GC)2'-HYDROXY-6'-메톡시아세토페논 N,N-디메틸아세트아미드

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

杭州品高化工有限公司0571-87658025 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

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