反应SMILES:C[C@H]1CNCCN1C(=O)OC(C)(C)C
HCID10081508

tert-Butyl (2S)-2-methylpiperazine-1-carboxylate

C10H20N2O2200.28 g/molCAS 169447-70-5

IDENTITY

结构与身份

标准SMILES
C[C@H]1CNCCN1C(=O)OC(C)(C)C
InChIKey
DATRVIMZZZVHMP-QMMMGPOBSA-N
分子式
C10H20N2O2
平均分子量
200.28 g/mol
单同位素质量
200.15247789

COMPUTED

结构计算性质

已同步
XLogP
0.9
极性表面积
41.6 Ų
氢键供体
1
氢键受体
3
可旋转键
2
重原子
14
形式电荷
0
复杂度
211

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (86.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Hazard Classes and Categories

Skin Irrit. 2 (13.3%);Eye Irrit. 2 (13.3%);STOT SE 3 (11.1%);Aquatic Chronic 2 (86.7%)

ALIASES

名称与别名

共 46 条
169447-70-5Tert-butyl (2S)-2-methylpiperazine-1-carboxylateDTXSID804352901,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylateRefChem:891734DTXCID20386116629-890-4(S)-1-N-Boc-2-Methylpiperazine(S)-1-Boc-2-methylpiperazine(S)-1-BOC-2-METHYL-PIPERAZINE(S)-tert-butyl 2-methylpiperazine-1-carboxylateMFCD01862121S-1-N-Boc-2-methylpiperazine1-PIPERAZINECARBOXYLIC ACID, 2-METHYL-, 1,1-DIMETHYLETHYL ESTER, (2S)-EN300-159795(S)-1-(tert-Butoxycarbonyl)-2-methylpiperazine(S)-1-N-Boc-2-methyl piperazine(R)-1-N-Boc-2-methylpiperazineEVZ55R4KPMtert-butyl (S)-2-methylpiperazine-1-carboxylate

REACTIONS

参与反应

72
HRID14925

uspto-grants-2010_06

作为反应物
HRID 14925 方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732444B2

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HRID43377

uspto-grants-2013_09

作为反应物
HRID 43377 方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536183B2

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HRID43379

uspto-grants-2013_09

作为反应物
HRID 43379 方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536183B2

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HRID43381

uspto-grants-2013_09

作为反应物
HRID 43381 方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536183B2

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HRID69688

uspto-grants-2014_09

作为反应物
HRID 69688 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822470B2

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HRID340055

uspto-grants-2014_11

作为反应物
HRID 340055 方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08895544B2

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HRID418281

uspto-grants-2012_01

作为反应物
HRID 418281 方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093249B2

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HRID418285

uspto-grants-2012_01

作为反应物
HRID 418285 方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093249B2

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