2,4-ジクロロ-N-メチルベンジルアミン

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

HCID 485424

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5013-77-4
標準SMILES: CNCc1ccc(Cl)cc1Cl
InChIKey: GUJXWKXDISDARD-UHFFFAOYSA-N
分子式: C8H9Cl2N
平均分子量: 190.07 g/mol
単同位体質量: 189.01120465

名称と識別子

優先名称: Benzenemethanamine, 2,4-dichloro-N-methyl-
IUPAC: 1-(2,4-dichlorophenyl)-N-methylmethanamine
現地名: 2,4-ジクロロ-N-メチルベンジルアミン
英語名: (2,4-Dichlorobenzyl)methylamine
分子式: C8H9Cl2N
分子量: 190.07

名称と別名

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

名称をさらに表示

2,4-ジクロロ-N-メチルベンジルアミン(2,4-ジクロロベンジル)メチルアミンAids107211Aids-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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.8
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 119

物理化学的性質

沸点: 123 °C/13mmHg · 123°C/13mmHg(lit.)
比重(密度): 1.226 · 1.226±0.06 g/cm3(Predicted)
屈折率: 1.556 to · 1.5560 to 1.5600
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 8.44 · 8.44±0.10(Predicted)
外見: 低融点固体
色: 無色
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
CAS データベース: 5013 · 5013-77-4

安全と法規制

GHS分類

GHS Classification · 4 件

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.