CAS 145475-35-0 2-(chloromethyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one (HCID 135449002)

基本情報

CAS: 145475-35-0
標準SMILES: O=c1[nH]c(CCl)nc2c1CCCC2
InChIKey: YOEVSDYLLYABRV-UHFFFAOYSA-N
分子式: C9H11ClN2O
平均分子量: 198.65 g/mol
単同位体質量: 198.05599065

名称と識別子

優先名称: 2-(chloromethyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
IUPAC: 2-(chloromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

名称と別名

145475-35-02-(CHLOROMETHYL)-5,6,7,8-TETRAHYDROQUINAZOLIN-4(3H)-ONEDTXSID30438539RefChem:253522DTXCID40389361821-888-32-(chloromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-oneSCHEMBL1161921SCHEMBL69306942-(chloromethyl)-3,4,5,6,7,8-hexahydroquinazolin-4-oneYOEVSDYLLYABRV-UHFFFAOYSA-N4(1H)-Quinazolinone, 2-(chloromethyl)-5,6,7,8-tetrahydro-

名称をさらに表示

VFA47535AKOS017531541DB-329429EN300-3690012-(Chloromethyl)-5,6,7,8-tetrahydroquinazolin-4(1H)-one

データベース識別子

CAS: 145475-35-0
PubChem CID: 135449002
DTXSID: DTXSID30438539
EC Number: 821-888-3
Nikkaji: J515.658K

物性

構造計算による物性

XLogP: 1.1
極性表面積: 41.5 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: 1
重原子数: 13
形式電荷: 0
複雑度: 307

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, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

化合物ノート

読み込み中…