反应SMILES:CCCC[N+](CCCC)(CCCC)Cc1ccccc1
HCID124611

Benzyltributylammonium bromide

benzyl(tributyl)azanium

C19H34N+276.5 g/molCAS 25316-59-0

IDENTITY

结构与身份

标准SMILES
CCCC[N+](CCCC)(CCCC)Cc1ccccc1
InChIKey
QSRFYFHZPSGRQX-UHFFFAOYSA-N
分子式
C19H34N+
平均分子量
276.5 g/mol
单同位素质量
276.26912509

COMPUTED

结构计算性质

已同步
XLogP
5.5
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
11
重原子
20
形式电荷
1
复杂度
196

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 25% (2 of 8) of reports.

Warning

H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (62.5%): 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 8 reports by companies.;There are 3 notifications provided by 6 of 8 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: Benzenemethanaminium, N,N,N-tributyl-, bromide

Hazard Classes and Categories

Acute Tox. 4 (62.5%);Acute Tox. 4 (12.5%);Skin Irrit. 2 (75%);Eye Irrit. 2 (75%);Acute Tox. 4 (12.5%);STOT SE 3 (62.5%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Benzenemethanaminium, N,N,N-tributyl-, bromide

ALIASES

名称与别名

共 25 条
RefChem:566987246-819-925316-59-0Benzyltributylammonium bromideN,N,N-TributylbenzenemethanaminiumBenzyltributylammoniumbenzyl(tributyl)azanium54225-72-8tributylbenzylammoniumbenzyl tributylammoniumbenzyltri-n-butylammoniumSCHEMBL81000benzyl-tributylazanium bromideQSRFYFHZPSGRQX-UHFFFAOYSA-DTXSID50865106QSRFYFHZPSGRQX-UHFFFAOYSA-NEINECS 246-819-9Tiamulin EP Impurity R (Free Base)N-Benzyl-N,N-dibutylbutan-1-aminiumBenzenemethanaminium, N,N,N-tributyl-

REACTIONS

参与反应

34
HRID90796

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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HRID 90796 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID121378

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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HRID 121378 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID136396

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID 136396 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID145262

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID 145262 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID171225

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID 171225 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID188217

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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HRID 188217 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID211316

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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HRID 211316 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID304762

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

作为反应物
HRID 304762 方程式

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

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