3,4-Bis(benzyloxy)phenethylamine hydrochloride

HCID 423869CAS 1699-56-5

部分構造検索類似構造を探す

基本情報

標準SMILES: NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIKey: JXPQMHIXNPWEEK-UHFFFAOYSA-N
分子式: C22H23NO2
平均分子量: 333.4 g/mol

概要

2-[3,4-bis(phenylmethoxy)phenyl]ethanamine is a primary amine.

名称と識別子

優先名称: 3,4-Bis(benzyloxy)phenethylamine hydrochloride
IUPAC: 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine

名称と別名

3,4-Bis(benzyloxy)phenethylamine hydrochlorideEINECS 216-924-4NSC 158272RefChem:485809216-924-455536-65-72-[3,4-bis(phenylmethoxy)phenyl]ethanamine2-[3,4-BIS(BENZYLOXY)PHENYL]ETHANAMINE3,4-dibenzyloxyphenethylamine3,4-Bis(phenylmethoxy)benzeneethanamineMLS0013599672-[3,4-bis(phenylmethoxy)phenyl]ethylamine

名称をさらに表示

SMR0012243333,4-BIS(BENZYLOXY)PHENETHYLAMINE3,4-dibenzyloxyphenethyl amineSCHEMBL3272392SCHEMBL7802750CHEMBL1620644BDBM79263cid_2723941

データベース識別子

CAS: 1699-56-5
PubChem CID: 423869
ChEMBL: CHEMBL1620644
ChEBI: CHEBI:125481
EC Number: 216-924-4
Nikkaji: J231.955A

物性

構造計算による物性

XLogP: 3.8
極性表面積: 44.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 8
重原子数: 25
形式電荷: 0
複雑度: 350

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.