2,3,4,5-テトラヒドロベンゾ[F][1,4]オキソアゼピン

2,3,4,5-Tetrahydro-1,4-benzoxazepine

HCID 21882775

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 17775-01-8
標準SMILES: c1ccc2c(c1)CNCCO2
InChIKey: HDVHFHONOKCUHQ-UHFFFAOYSA-N
分子式: C9H11NO
平均分子量: 149.19 g/mol
単同位体質量: 149.08406397

名称と識別子

優先名称: 2,3,4,5-Tetrahydro-1,4-benzoxazepine
IUPAC: 2,3,4,5-tetrahydro-1,4-benzoxazepine
現地名: 2,3,4,5-テトラヒドロベンゾ[F][1,4]オキソアゼピン
英語名: 2,3,4,5-Tetrahydrobenzo[f][1,4]oxazepine
分子式: C9H11NO
分子量: 149.19

名称と別名

17775-01-82,3,4,5-tetrahydro-1,4-benzoxazepineDTXSID90619367RefChem:441659DTXCID90570121818-399-22,3,4,5-Tetrahydrobenzo[f][1,4]oxazepine1,4-Benzoxazepine, 2,3,4,5-tetrahydro-MFCD086697652,3,4,5-Tetrahydro-benzo[f][1,4]oxazepineCHEMBL1184203,4-Dihydro-2H-benzo[f][1,4]oxazepine

名称をさらに表示

2,3,4,5-テトラヒドロベンゾ[F][1,4]オキソアゼピン2,3,4,5-テトラヒドロ-1,4-ベンゾオキサゼピン2,3,4,5-tetrahydro-1,4-benzoxazepine(SALTDATA: FREE)

SCHEMBL4009641,4-Benzoxazepine, 2,3,4,5-tetrahydro-, hydrochloride9WB7HBE4XUSCHEMBL519470SCHEMBL519471SCHEMBL578499SCHEMBL1384971SCHEMBL3871811

データベース識別子

CAS: 17775-01-8
PubChem CID: 21882775
DTXSID: DTXSID90619367
ChEMBL: CHEMBL118420
UNII: 9WB7HBE4XU
EC Number: 818-399-2
Nikkaji: J775.075G

物性

構造計算による物性

XLogP: 1
極性表面積: 21.3 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: 0
重原子数: 11
形式電荷: 0
複雑度: 127

物理化学的性質

貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.