4-(3,4-디클로로페닐)-1,2,3,4-테트라히드로-N-메틸-1-나프탈렌이민

N-(4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene)methanamine

HCID 9796475

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 261776-41-4
표준 SMILES: CN=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIKey: MGBVAZJASCWJGJ-UHFFFAOYSA-N
분자식: C17H15Cl2N
평균 분자량: 304.2 g/mol

이름 및 식별자

우선 이름: N-(4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene)methanamine
IUPAC: 4-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-naphthalen-1-imine
현지명: 4-(3,4-디클로로페닐)-1,2,3,4-테트라히드로-N-메틸-1-나프탈렌이민
영어명: 4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenimine
분자식: C17H15Cl2N
분자량: 304.21

이름 및 동의어

N-[4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene]methanamineN-(4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene)methanamineRefChem:826905455-240-279560-20-64-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-naphthalen-1-imine4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenimineN-(4(3,4-dichlorophenyl)-3,4-dihydro-1(2H)naphthalidene) methanamine261776-41-4Sertraline Impurity 38Sertraline Impurity 54Sertraline Impurity 64

이름 더 보기

4-(3,4-디클로로페닐)-1,2,3,4-테트라히드로-N-메틸-1-나프탈렌이민SETRALINE HCL4-(3,4-Dichlorophenyl)-3,4-dihydro-N-methyl-1-(2H)-NapthaleneimineSERTRALINE HCL FORM ISERTRALINE HCL FORM IISertraline Impurity 13Sertraline STHRC-3 ImpuritySertraline Tetralone Methanamine Racemate4-(3,4-Dichlorophenyl)-3,4-dihydro-1-(2H)-methanamine4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthaleneimine4-(3,4-Dichlorophenyl)-1-tetrahydro-N-methyl-1-naphthylimine

M7E26V8V3GSCHEMBL2778648SCHEMBL2778650SCHEMBL2779598DTXSID90430872MGBVAZJASCWJGJ-UHFFFAOYSA-NEDA56020AKOS015965560

데이터베이스 식별자

CAS: 261776-41-4、79560-20-6
PubChem CID: 9796475
DTXSID: DTXSID90430872
UNII: M7E26V8V3G
EC Number: 455-240-2、616-704-1
Nikkaji: J1.274.613J

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 12.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 20
형식 전하: 0
복잡도: 368

물리화학적 성질

녹는점: 243 · 243-247°C
끓는 점: 390.5 · 390.5±42.0 °C(Predicted)
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
용해도: 26 mg/mL · DMSO: ~26mg/mL
산도 계수 (pKa): 5.41 · 5.41±0.40(Predicted)
물리적 상태: 고체
색상: 하얀색

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.