CAS 102-11-4 N-Benzyl-N,N'-dimethylethylenediamine (HCID 66016)

基本情報

CAS: 102-11-4
標準SMILES: CNCCN(C)Cc1ccccc1
InChIKey: PVFIKWLTVKSXED-UHFFFAOYSA-N
分子式: C11H18N2
平均分子量: 178.27 g/mol
単同位体質量: 178.14699858

名称と識別子

優先名称: N-Benzyl-N,N'-dimethylethylenediamine
IUPAC: N'-benzyl-N,N'-dimethylethane-1,2-diamine
現地名: N-ベンジル-N,N'-ジメチル-1,2-エタンジアミン
英語名: N-Benzyl-n N'-dimethylethylenediamine
分子式: C11H18N2
分子量: 178.27

名称と別名

N-Benzyl-N,N'-dimethylethylenediamine1,2-Ethanediamine, N1,N2-dimethyl-N1-(phenylmethyl)-1,2-Ethanediamine, N,N'-dimethyl-N-(phenylmethyl)-Benzyl(methyl)(2-methylaminoethyl)amineEINECS 203-006-3H725296YU4NSC 166313NSC-166313Ethylenediamine, N-benzyl-N,N'-dimethyl-benzyl(methyl)[2-(methylamino)ethyl]amineN-benzyl-N,N'-dimethylethane-1,2-diamineDTXSID0059245

名称をさらに表示

N,N'-ジメチル-N-ベンジルエチレンジアミンN-ベンジル-N,N'-ジメチル-1,2-エタンジアミンN-ベンジル-N,N'-ジメチルエチレンジアミンN,N′-ジメチル-N-ベンジルエチレンジアミンN-ベンジル-N,N′-ジメチル-1,2-エタンジアミンベンジル(メチル)[2-(メチルアミノ)エチル]アミンN-BenzyldimethylethylenediamineN-Benzyl-n N'-dimethylethylenediamineN-Benzyl-N,N'-dimethylethylenediamine >N1-benzyl-N1,N2-diMethylethane-1,2-diaMineN,N'-dimethyl-N-(phenylmethyl)ethane-1,2-diamine

UNII-H725296YU4BENZYL(METHYL)(2-(METHYLAMINO)ETHYL)AMINEN1,N2-DIMETHYL-N1-(PHENYLMETHYL)-1,2-ETHANEDIAMINERefChem:162949DTXCID8032673Ethylenediamine, N-benzyl-N,N'-dimethyl-(8CI)102-11-4N1-benzyl-N1,N2-dimethylethane-1,2-diamine

データベース識別子

CAS: 102-11-4
PubChem CID: 66016
DTXSID: DTXSID0059245
UNII: H725296YU4
EC Number: 203-006-3
Nikkaji: J182.149K

物性

構造計算による物性

XLogP: 1.3
極性表面積: 15.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 13
形式電荷: 0
複雑度: 119

物理化学的性質

沸点: 122 °C · 122 °C
比重(密度): 0.92 · 0.92
屈折率: 1.509 · 1.5090-1.5130
外見: clear liquid
酸解離定数(Pka): 10.11 · 10.11±0.10(Predicted)
色: Colorless to Almost colorless
InChI: InChI=1S/C11H18N2/c1-12-8-9-13(2)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey: PVFIKWLTVKSXED-UHFFFAOYSA-N
SMILES: C(N(C)CC1=CC=CC=C1)CNC
EPAの化学物質情報: 1 · 1,2-Ethanediamine, N,N'-dimethyl-N-(phenylmethyl)- (102-11-4)

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, 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.