HCID25244

6,7,8,9-tetrahydro-5H-benzo(7)annulen-5-amine

6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C11H15N161.24 g/molCAS 17910-26-8

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IDENTITY

结构与身份

标准SMILES: NC1CCCCc2ccccc21
InChIKey: UFBOKWPYNNXYIS-UHFFFAOYSA-N
分子式: C11H15N
平均分子量: 161.24 g/mol
单同位素质量: 161.12044948

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 26 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 12
形式电荷: 0
复杂度: 144

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 24 条

17910-26-86,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amineDTXSID202747866,7,8,9-tetrahydro-5H-benzo(7)annulen-5-amineRefChem:306088DTXCID60226244875-166-86,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylamineMFCD090406575H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-SCHEMBL2792664SCHEMBL30831925UFBOKWPYNNXYIS-UHFFFAOYSA-NSAA91026AKOS000128601SB34382SY181104DB-196875CS-0341673EN300-59646

REACTIONS

参与反应

3 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737167B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06703392B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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