CAS 1402004-16-3 3,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido[2,1-c][1,4]oxazine-1,6-dione (HCID 68380174)

基本情報

CAS: 1402004-16-3
標準SMILES: Cc1cn(-c2ccc3n(c2=O)CCOC3=O)cn1
InChIKey: OHSVUZLFGBAXDD-UHFFFAOYSA-N
分子式: C12H11N3O3
平均分子量: 245.23 g/mol
単同位体質量: 245.08004122

名称と識別子

優先名称: 3,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido[2,1-c][1,4]oxazine-1,6-dione
IUPAC: 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dione
英語名: 7-(4-methyl-1H-imidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dione
分子式: C12H11N3O3
分子量: 245.23

名称と別名

1402004-16-33,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido(2,1-c)(1,4)oxazine-1,6-dione3,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido[2,1-c][1,4]oxazine-1,6-dioneRefChem:486199822-524-67-(4-Methyl-1H-imidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dione7-(4-Methyl-imidazol-1-yl)-3,4-dihydro-pyrido[2,1-c][1,4]oxazine-1,6-dionePyrido[2,1-c][1,4]oxazine-1,6-dione, 3,4-dihydro-7-(4-methyl-1H-imidazol-1-yl)-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dioneSCHEMBL12804512OHSVUZLFGBAXDD-UHFFFAOYSA-NDB-197343

名称をさらに表示

EOS-60779

H61421

データベース識別子

CAS: 1402004-16-3
PubChem CID: 68380174
EC Number: 822-524-6

物性

構造計算による物性

XLogP: 0.6
極性表面積: 64.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 18
形式電荷: 0
複雑度: 469

物理化学的性質

沸点: 623.2 · 623.2±65.0 °C(Predicted)
比重(密度): 1.47 · 1.47±0.1 g/cm3(Predicted)
酸解離定数(Pka): 5.5 · 5.50±0.61(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.