HCID97773

3-Carbethoxy-2-piperidone

ethyl 2-oxopiperidine-3-carboxylate

C8H13NO3171.19 g/molCAS 3731-16-6

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C1CCCNC1=O
InChIKey: DUMNOWYWTAYLJN-UHFFFAOYSA-N
分子式: C8H13NO3
平均分子量: 171.19 g/mol
单同位素质量: 171.08954328

COMPUTED

结构计算性质

已同步

XLogP: 0.5
极性表面积: 55.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 191

PROPERTIES

实验与物化性质

来源：PubChem

Solubility

>25.7 [ug/mL] (The mean of the results at pH 7.4)

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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

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

ALIASES

名称与别名

共 58 条

3-Carbethoxy-2-piperidone3731-16-6Ethyl 2-oxo-3-piperidinecarboxylateNSC-385456HV9GM5YKGDTXSID601312309RefChem:499561DTXCID601742108223-086-3Ethyl 2-oxopiperidine-3-carboxylate3-Ethoxycarbonyl-2-piperidone3-Piperidinecarboxylic acid, 2-oxo-, ethyl esterMFCD00006038Ethyl 2-piperidone-3-carboxylate2-Oxo-piperidine-3-carboxylic acid ethyl ester3-Carboxylicacid-2-piperidinone ethyl ester3-Carbethoxy piperidone-22-Oxo-3-piperidinecarboxylic Acid Ethyl EsterNSC38545EINECS 223-086-3

REACTIONS