2,3,4,5-四氢苯并[B]噁英-5-基胺

2,3,4,5-Tetrahydro-1-benzoxepin-5-amine

HCID 15619698CAS 145348-77-2

子结构检索查找相似结构

基本信息

标准SMILES: NC1CCCOc2ccccc21
InChIKey: QJQARXIEBJBMRM-UHFFFAOYSA-N
分子式: C10H13NO
平均分子量: 163.22 g/mol

名称与标识

首选名称: 2,3,4,5-Tetrahydro-1-benzoxepin-5-amine
IUPAC: 2,3,4,5-tetrahydro-1-benzoxepin-5-amine
中文名: 2,3,4,5-四氢苯并[B]噁英-5-基胺
英文名: 2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-5-AMINE
分子式: C10H13NO
分子量: 163.22

名称与别名

145348-77-22,3,4,5-tetrahydro-1-benzoxepin-5-amineRefChem:441667840-883-72,3,4,5-tetrahydrobenzo[b]oxepin-5-amine(S)-2,3,4,5-Tetrahydro-benzo[b]oxepin-5-ylamine2,3,4,5-Tetrahydro-benzo[b]oxepin-5-ylamine1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-1567921-77-0MFCD11206491SCHEMBL1265933QJQARXIEBJBMRM-UHFFFAOYSA-N

展开更多名称

2,3,4,5-四氢苯并[B]噁英-5-胺2,3,4,5-四氢苯并[B]噁英-5-基胺2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-5-AMINE-HCL

VFA34877AKOS009331219SB33681SB33931SB33932DB-2267795-amino-2,3,4,5-tetrahydro-1-benzoxepineCS-0342504

数据库标识

CAS: 145348-77-2
PubChem CID: 15619698
EC Number: 840-883-7

性质

结构计算性质

XLogP: 1.3
极性表面积: 35.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 12
形式电荷: 0
复杂度: 149

物理化学性质

沸点: 257.1 · 257.1±29.0 °C(Predicted)
密度: 1.069 · 1.069±0.06 g/cm3(Predicted)
酸度系数(pKa): 9.4 · 9.40±0.20(Predicted)

安全与法规

GHS分类

GHS Classification · 4 条

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.