1-Methylpiperazine 分子结构式
HCID53167

1-Methylpiperazine

C5H12N2100.16 g/molCAS 109-01-3

IDENTITY

结构与身份

标准SMILES
CN1CCNCC1
InChIKey
PVOAHINGSUIXLS-UHFFFAOYSA-N
分子式
C5H12N2
平均分子量
100.16 g/mol
单同位素质量
100.10004839

COMPUTED

结构计算性质

已同步
XLogP
-0.4
极性表面积
15.3 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
7
形式电荷
0
复杂度
48

PROPERTIES

实验与物化性质

来源:PubChem
Vapor Pressure

3.0 [mmHg]

Physical Description

Clear light yellow hygroscopic liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index

839;847;852;838.5

1266;1270;1274;1282;1282;1286;1262

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 1.1% (4 of 377) of reports.

Danger

H226 (98.7%): Flammable liquid and vapor [Warning Flammable liquids];H312 (44.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (98.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H317 (53.8%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (51.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H330 (24.4%): Fatal if inhaled [Danger Acute toxicity, inhalation];H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (56.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 377 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 377 reports by companies.;There are 23 notifications provided by 373 of 377 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: Piperazine, 1-methyl-

Status: Active Update: 08-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13739;Status: Active Update: 20-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18323

1-Methylpiperazine: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards Summary

Causes skin corrosion in acute dermal studies of rabbits; Causes convulsions in acute inhalation studies of mice; Causes multiple liver effects, changes in renal tubules, changes in recording from peripheral motor nerve, and general anesthesia in acute oral studies of mice; [RTECS] Causes burns; May cause skin sensitization; Harmful by inhalation; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by skin absorption; Toxic by inhalation; [Sigma-Aldrich MSDS] See Piperazine and salts.

Hazard Classes and Categories

Flam. Liq. 3 (98.7%);Acute Tox. 4 (44.8%);Skin Corr. 1B (98.9%);Skin Sens. 1B (53.8%);Eye Dam. 1 (51.7%);Acute Tox. 1 (24.4%);Acute Tox. 3 (12.5%);Acute Tox. 4 (56.8%)

Corrosives, Flammable agents - 2nd degree

TOXICITY

毒理信息

来源:PubChem
Adverse Effects

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.;Dermatotoxin - Skin burns.;Skin Sensitizer - An agent that can induce an allergic reaction in the skin.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Toxicity Data

LC50 (mouse) = 2,740 mg/m3/2hr

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Piperazine, 1-methyl-

Status: Active Update: 08-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13739;Status: Active Update: 20-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18323

1-Methylpiperazine: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

USES

用途与制造

来源:PubChem
Uses

Used to make large scale and fine chemicals; [ECHA REACH Registrations]

General Manufacturing Information

Piperazine, 1-methyl-: ACTIVE

ALIASES

名称与别名

共 110 条
1-MethylpiperazineN-Methylpiperazine109-01-3PIPERAZINE, 1-METHYL-1-methyl piperazineB92I95EL9QNSC-30195NSC-30675DTXSID4021898RefChem:434645DTXCID601898CHEBI:46920203-639-54-Methylpiperazinen-methyl piperazine1-Methyl-piperazineMETHYLPIPERAZINEmethyl piperazineN-METHYL-PIPERAZINE1-methylpyperazine

REACTIONS

参与反应

5,438
HRID 80 反应方程式

750 AstraZeneca ELN dataset

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HRID 203 反应方程式

750 AstraZeneca ELN dataset

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HRID 243 反应方程式

750 AstraZeneca ELN dataset

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HRID 301 反应方程式

750 AstraZeneca ELN dataset

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HRID 553 反应方程式

750 AstraZeneca ELN dataset

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HRID 559 反应方程式

750 AstraZeneca ELN dataset

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HRID 562 反应方程式

750 AstraZeneca ELN dataset

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HRID 597 反应方程式

750 AstraZeneca ELN dataset

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