结构:CC(C)(C)OC(=O)N1CCN(c2ccc(N)cn2)CC1
HCID17999304

tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5-amino-2-pyridinyl)piperazine-1-carboxylate

C14H22N4O2278.35 g/molCAS 119285-07-3

IDENTITY

结构与身份

标准 SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(N)cn2)CC1
InChIKey
RMHRRMBFHGEDSR-UHFFFAOYSA-N
分子式
C14H22N4O2
平均分子量
278.35 g/mol
单同位素质量
278.17427596

COMPUTED

结构计算性质

已同步
XLogP
1.3
极性表面积
71.7 Ų
氢键供体
1
氢键受体
5
可旋转键
3
重原子
20
形式电荷
0
复杂度
335

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning 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+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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

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

ALIASES

名称与别名

33
119285-07-3tert-butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylateDTXSID10592340RefChem:383517DTXCID00543104869-810-71-Boc-4-(5-Aminopyridin-2-yl)piperazineMFCD05864841TERT-BUTYL 4-(5-AMINO-2-PYRIDINYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE4-(5-Aminopyridin-2-yl)piperazine-1-carboxylic acid tert-Butyl ester1-Piperazinecarboxylic acid, 4-(5-amino-2-pyridinyl)-, 1,1-dimethylethyl ester1-Boc-4-(5-amino-2-pyridinyl)-piperazineSCHEMBL265889SCHEMBL29612182RMHRRMBFHGEDSR-UHFFFAOYSA-NUEA28507AKOS005071527AB91568CS-W0230015-Amino-2-(4-BOC-piperazino)pyridine

REACTIONS

参与反应

33
HRID89601

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

作为反应物
HRID 89601 方程式

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

查看条件与参与物
HRID153504

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

作为生成物
HRID 153504 方程式

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

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HRID175907

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

作为生成物
HRID 175907 方程式

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

查看条件与参与物
HRID193511

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

作为反应物
HRID 193511 方程式

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

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HRID214276

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

作为反应物
HRID 214276 方程式

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

查看条件与参与物