4-ethyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazin-4-ol

HCID 9903869CAS 219307-74-1

基本情報

標準SMILES: CCC1(O)CC[Se]C(c2ccc(C)cc2)=N1
InChIKey: SPHPVCBZNTZISK-UHFFFAOYSA-N
分子式: C13H17NOSe
平均分子量: 282.25 g/mol
単同位体質量: 283.04753546

名称と識別子

優先名称: 4-ethyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazin-4-ol
IUPAC: 4-ethyl-2-(4-methylphenyl)-5,6-dihydro-1,3-selenazin-4-ol

名称と別名

4-ethyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazin-4-ol219307-74-1DTXSID70432637RefChem:292565DTXCID40383465TS-24-ethyl-2-(4-methylphenyl)-5,6-dihydro-1,3-selenazin-4-olSCHEMBL29352250SPHPVCBZNTZISK-UHFFFAOYSA-N4-ethyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-olAKOS015838608

データベース識別子

CAS: 219307-74-1
PubChem CID: 9903869
DTXSID: DTXSID70432637
EC Number: 118-531-2
Nikkaji: J1.022.556F

物性

構造計算による物性

極性表面積: 32.6 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: 2
重原子数: 16
形式電荷: 0
複雑度: 271

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H331 (100%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]

P260, P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (100%)