(2,4-디클로로벤질)메틸아민

Benzenemethanamine, 2,4-dichloro-N-methyl-

HCID 485424

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5013-77-4
표준 SMILES: CNCc1ccc(Cl)cc1Cl
InChIKey: GUJXWKXDISDARD-UHFFFAOYSA-N
분자식: C8H9Cl2N
평균 분자량: 190.07 g/mol
단동위원소 질량: 189.01120465

이름 및 식별자

우선 이름: Benzenemethanamine, 2,4-dichloro-N-methyl-
IUPAC: 1-(2,4-dichlorophenyl)-N-methylmethanamine
현지명: (2,4-디클로로벤질)메틸아민
영어명: (2,4-Dichlorobenzyl)methylamine
분자식: C8H9Cl2N
분자량: 190.07

이름 및 동의어

5013-77-4Benzenemethanamine, 2,4-dichloro-N-methyl-2,4-Dichloro-N-methylbenzylamineDTXSID60198215RefChem:563241DTXCID90120706695-345-2(2,4-Dichlorobenzyl)methylamineN-Methyl-2,4-dichlorobenzylamine1-(2,4-dichlorophenyl)-N-methylmethanamine[(2,4-dichlorophenyl)methyl](methyl)amineMFCD00045185

이름 더 보기

(2,4-디클로로벤질)메틸아민Aids107211Aids-107211Dinaphthylmethylmethanamine(2,4-dichlorophenyl)-N-Me...(2,4-Dichlorobenzyl)methylamine95%(2,4-DICHLOROBENZYL)METHYLAMINE 95%

(2,4-DICHLOROPHENYL)-N-METHYLMETHANAMINE1-(2,4-Dichlorophenyl)-N-methyl-methanamineN-(2,4-dichlorobenzyl)-N-methylamineSCHEMBL2569349SCHEMBL3482790CHEMBL1178155SCHEMBL298752262,4-Dichlorobenzyl methyl amine

데이터베이스 식별자

CAS: 5013-77-4
PubChem CID: 485424
DTXSID: DTXSID60198215
ChEMBL: CHEMBL1178155
EC Number: 695-345-2

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

물리화학적 성질

끓는 점: 123 °C/13mmHg · 123°C/13mmHg(lit.)
밀도: 1.226 · 1.226±0.06 g/cm3(Predicted)
굴절률: 1.556 to · 1.5560 to 1.5600
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 8.44 · 8.44±0.10(Predicted)
물리적 상태: 저융점 고체
색상: 무색의
InChI: InChI=1S/C8H9Cl2N/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3
InChIKey: GUJXWKXDISDARD-UHFFFAOYSA-N
SMILES: C1(CNC)=CC=C(Cl)C=C1Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

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