CAS 335620-97-8 3-(Phenylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane, hydrochloride (1:2) (HCID 18540370)

基本情報

CAS: 335620-97-8
標準SMILES: Cl.Cl.c1ccc(CN2CC3CNCC(C2)O3)cc1
InChIKey: WYJXAGJCXWTTAH-UHFFFAOYSA-N
分子式: C13H20Cl2N2O
平均分子量: 291.21 g/mol
単同位体質量: 290.0952687

名称と識別子

優先名称: 3-(Phenylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane, hydrochloride (1:2)
IUPAC: 3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;dihydrochloride

名称と別名

335620-97-83-(phenylmethyl)-9-oxa-3,7-diazabicyclo(3.3.1)nonane, hydrochloride (1:2)3-(Phenylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane, hydrochloride (1:2)RefChem:495836620-106-63-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane dihydrochloride3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;dihydrochlorideMFCD27956752SCHEMBL1619305WYJXAGJCXWTTAH-UHFFFAOYSA-NAKOS030242348SS-4990

名称をさらに表示

SY579479DB-304468CS-0368542EN300-19317120F7580453-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonanedihydrochloride3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane dihydro-chloride

データベース識別子

CAS: 335620-97-8
PubChem CID: 18540370
EC Number: 620-106-6

物性

構造計算による物性

極性表面積: 24.5 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 216

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.