1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)

HCID 31228CAS 122-75-8
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(=O)O.CC(=O)O.c1ccc(CNCCNCc2ccccc2)cc1
InChIKey
MTRNNCLQPVCDLF-UHFFFAOYSA-N
分子式
C16H20N2.2C2H4O2
平均分子量
360.4 g/mol
単同位体質量
360.20490738

名称と識別子

優先名称
1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)
IUPAC
acetic acid;N,N'-dibenzylethane-1,2-diamine

名称と別名

122-75-8N,N'-Dibenzylethylenediamine diacetateBenzathine diacetate1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, diacetate1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)X18B8X2C22DTXSID40883314NSC-33274RefChem:411930DTXCID901022852204-572-4N1,N2-Dibenzylethane-1,2-diamine diacetate
名称をさらに表示
N,N'-Dibenzyl ethylenediamine diacetateDBED diacetateMFCD00040588C20H28N2O4N,N'-Dibenzylethylenediamine Diacetate Salt1,2-Di(benzylamino)ethane diacetateacetic acid;N,N'-dibenzylethane-1,2-diamineNSC-81591

データベース識別子

CAS
122-75-8
PubChem CID
31228
DTXSID
DTXSID40883314
UNII
X18B8X2C22
EC Number
204-572-4

物性

構造計算による物性

極性表面積
98.7 Ų
水素結合供与体数
4
水素結合受容体数
6
回転可能結合数
7
重原子数
26

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, diacetate

Status: Active Update: 29-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12715

1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, diacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

化学と産業

用途と製造

General Manufacturing Information1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2): INACTIVE

関連反応

9 件
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