8-Methoxy-2,3,4,5-tetrahydro-benzo[c]azepin-1-one

HCID 11275529

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 22246-71-5
標準SMILES: COc1ccc2c(c1)C(=O)NCCC2
InChIKey: GPWGAOXFZLKGQY-UHFFFAOYSA-N
分子式: C11H13NO2
平均分子量: 191.23 g/mol
単同位体質量: 191.09462866

名称と識別子

優先名称: 8-Methoxy-2,3,4,5-tetrahydro-benzo[c]azepin-1-one
IUPAC: 8-methoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one
英語名: 8-Methoxy-2,3,4,5-tetrahydrobenzo[c]azepin-1-one
分子式: C11H13NO2
分子量: 191.23

名称と別名

22246-71-58-Methoxy-2,3,4,5-tetrahydro-benzo[c]azepin-1-one8-METHOXY-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPIN-1-ONE8-methoxy-2,3,4,5-tetrahydrobenzo[c]azepin-1-one8-methoxy-2,3,4,5-tetrahydro-2-benzazepin-1-oneMFCD020632848-METHOXY-2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPIN-1-ONESCHEMBL1649500DTXSID60460848GPWGAOXFZLKGQY-UHFFFAOYSA-NAKOS006344703AC-6295

名称をさらに表示

4-Methoxy-2,3,5,6-tetrafluorobenzoicacid1H-2-Benzazepin-1-one, 2,3,4,5-tetrahydro-8-methoxy-

AS-37470ST013664SY238607CS-01129288-methoxy-2H,3H,4H,5H-benzo[e]azepin-1-oneF0404518-Methoxy-2,3,4,5-tetrahydrobenz[c]azepin-1-one8-methoxy-2,3,4,5-tetrahydro-benzo[C]-azepin-1-one

データベース識別子

CAS: 22246-71-5
PubChem CID: 11275529
DTXSID: DTXSID60460848
EC Number: 676-175-8
Nikkaji: J2.824.710I

物性

構造計算による物性

XLogP: 1.6
極性表面積: 38.3 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: 1
重原子数: 14
形式電荷: 0
複雑度: 217

物理化学的性質

貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.