1-乙酰基-6-氨基吲哚

1-Acetyl-6-aminoindoline

HCID 258564CAS 62368-29-0

子结构检索查找相似结构

基本信息

标准SMILES: CC(=O)N1CCc2ccc(N)cc21
InChIKey: LOZKZWIQDVEDCQ-UHFFFAOYSA-N
分子式: C10H12N2O
平均分子量: 176.21 g/mol
单同位素质量: 176.094963

名称与标识

首选名称: 1-Acetyl-6-aminoindoline
IUPAC: 1-(6-amino-2,3-dihydroindol-1-yl)ethanone
中文名: 1-乙酰基-6-氨基吲哚
英文名: 1-Acetyl-6-aminoindoline
分子式: C10H12N2O
分子量: 176.22

名称与别名

1-Acetyl-6-aminoindolineDTXSID00293172RefChem:429010DTXCID10244312622-695-562368-29-01-(6-aminoindolin-1-yl)ethanone1-Acetyl-6-amino-2,3-dihydro-1H-indole1-(6-amino-2,3-dihydroindol-1-yl)ethanone1-(6-aminoindolin-1-yl)ethan-1-one1-(6-amino-2,3-dihydro-1H-indol-1-yl)ethan-1-oneMFCD00056021

展开更多名称

1-乙酰基-6-氨基吲哚1-乙酰基吲哚啉-6-胺1-乙酰基-6-氨基吲哚啉1-乙酰基-6-胺基吲哚(冷库)1-(6-氨基吲哚啉-1-基)乙酮1-(6-氨基-1- 吲哚啉)乙酮1-(6-氨基二氢吲哚-1-基)乙酮1-(6-氨基二氢吲哚-1-基)乙-1-酮1-乙酰基-6-氨基-2,3-二氢-1H-吲哚1-(6-氨基-2,3-二氢吲哚-1-基)乙酮NSC 876236-Amino-N-acetylindoline1-Acetyl-6-aminoindoline 95+%1-(6-amino-1-indolinyl)ethanone1-Acetyl-6-aminoindoline powder1-Acetyl-6-amino-2,3-dihydroindole

MLS0026947691H-Indol-6-amine, 1-acetyl-2,3-dihydro-F2189-03151-(6-amino-2,3-dihydro-1H-indol-1-yl)ethanoneNSC876231-acetylindolin-6-amine1-acetyl-6-amino-indolineNCIOpen2_001034

数据库标识

CAS: 62368-29-0
PubChem CID: 258564
DTXSID: DTXSID00293172
ChEMBL: CHEMBL1877102
EC Number: 622-695-5

性质

结构计算性质

XLogP: 0.6
极性表面积: 46.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 13
形式电荷: 0
复杂度: 217

物理化学性质

熔点: 182 °C · 182 °C
储存条件: 2 · 2-8°C
形态: powder
颜色: yellow to tan
InChI: 1S/C10H12N2O/c1-7(13)12-5-4-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,11H2,1H3
InChIKey: LOZKZWIQDVEDCQ-UHFFFAOYSA-N
SMILES: CC(=O)N1CCc2ccc(N)cc12

安全与法规

GHS分类

GHS Classification · 4 条

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.