HCID67067

N,N-Diethylpiperazine-1-carboxamide

C9H19N3O185.27 g/molCAS 119-54-0

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IDENTITY

结构与身份

标准SMILES: CCN(CC)C(=O)N1CCNCC1
InChIKey: IWJSZNIFIDAYDY-UHFFFAOYSA-N
分子式: C9H19N3O
平均分子量: 185.27 g/mol
单同位素质量: 185.15281224

COMPUTED

结构计算性质

已同步

XLogP: -0.2
极性表面积: 35.6 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 162

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

ALIASES

名称与别名

共 31 条

N,N-Diethylpiperazine-1-carboxamide1-Piperazinecarboxamide, N,N-diethyl-N,N-diethyl-1-piperazinecarboxamideBRN87C278XEINECS 204-332-9DTXSID90152284RefChem:161201DTXCID9074775204-332-9119-54-0Piperazine-1-carboxylic acid diethylamideMFCD06796284n,n-diethyl-1-piperazine carboxamideN,N-diethylpiperazinylcarboxamidediethylcarbamylpiperazineUNII-BRN87C278XSCHEMBL2420417SCHEMBL4612540SBB010188AKOS000134172

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1986_10 · 10.6084/m9.figshare.5104873.v1 · US04618617

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