8-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

HCID 4615168

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 22246-76-0
標準SMILES: Nc1ccc2c(c1)NC(=O)CCC2
InChIKey: XRJMPABWIZHNQA-UHFFFAOYSA-N
分子式: C10H12N2O
平均分子量: 176.21 g/mol
単同位体質量: 176.094963

名称と識別子

優先名称: 8-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
IUPAC: 8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
英語名: 8-AMINO-1,3,4,5-TETRAHYDROBENZO[B]AZEPINE-2-ONE
分子式: C10H12N2O
分子量: 176.22

名称と別名

22246-76-08-AMINO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE8-amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-oneDTXSID50404913RefChem:547539DTXCID80355767676-120-88-amino-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one8-amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one8-Amino-1,3,4,5-tetrahydrobenzo[b]azepin-2-one8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-oneMFCD04038431

名称をさらに表示

Compound FL01202H-1-Benzazepin-2-one8-AMino-1,3,4,5-tetrahydr...8-AMINO-1,3,4,5-TETRAHYDROBENZO[B]AZEPINE-2-ONE8-amino-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one2H-1-Benzazepin-2-one, 8-amino-1,3,4,5-tetrahydro-

DS-15578-amino-1,3,4,5-tetrahydrobenzobazepine-2-oneSCHEMBL995002orb3169879SCHEMBL1046519XRJMPABWIZHNQA-UHFFFAOYSA-NFL0120AKOS006293664

データベース識別子

CAS: 22246-76-0
PubChem CID: 4615168
DTXSID: DTXSID50404913
EC Number: 676-120-8

物性

構造計算による物性

XLogP: 0.7
極性表面積: 55.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 205

物理化学的性質

沸点: 409 ℃ · 409℃
比重(密度): 1.184 · 1.184
闪点: 201 ℃ · 201℃
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 14.83 · 14.83±0.20(Predicted)

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)

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