2,3,4,5-テトラヒドロ-1,5-ベンゾオキサゼピン

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

HCID 577752CAS 7160-97-6

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc2c(c1)NCCCO2
InChIKey: HYLJXJSMGIOVIK-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-1,5-benzoxazepine
IUPAC: 2,3,4,5-tetrahydro-1,5-benzoxazepine
現地名: 2,3,4,5-テトラヒドロ-1,5-ベンゾオキサゼピン
英語名: 2,3,4,5-Tetrahydro-1,5-benzoxazepine
分子量: 0

名称と別名

2,3,4,5-Tetrahydro-1,5-benzoxazepine7160-97-6DTXSID00992153RefChem:441662DTXCID20905063828-742-82,3,4,5-tetrahydrobenzo[b][1,4]oxazepine1,5-Benzoxazepine, 2,3,4,5-tetrahydro-MFCD09832134SCHEMBL346720SCHEMBL870797SCHEMBL870798

名称をさらに表示

2,3,4,5-テトラヒドロ-1,5-ベンゾオキサゼピン

SCHEMBL935200SCHEMBL2475700SCHEMBL5750764SCHEMBL7353626HYLJXJSMGIOVIK-UHFFFAOYSA-VT1384AKOS006239785SB38426

データベース識別子

CAS: 7160-97-6
PubChem CID: 577752
DTXSID: DTXSID00992153
EC Number: 828-742-8
Nikkaji: J131.183B

物性

構造計算による物性

XLogP: 2
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: 2 · 2-8°C, protect from light

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.