HCID17999271

Benzyl ethyl piperidine-1,3-dicarboxylate

1-O-benzyl 3-O-ethyl piperidine-1,3-dicarboxylate

C16H21NO4291.34 g/molCAS 310454-53-6

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCOC(=O)C1CCCN(C(=O)OCc2ccccc2)C1
InChIKey: NJRONXOELMBCSE-UHFFFAOYSA-N
分子式: C16H21NO4
平均分子量: 291.34 g/mol
单同位素质量: 291.14705815

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 55.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 6
重原子: 21
形式电荷: 0
复杂度: 352

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. 2 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 36 条

BENZYL ETHYL PIPERIDINE-1,3-DICARBOXYLATERefChem:566752694-920-5310454-53-61-Benzyl 3-ethyl piperidine-1,3-dicarboxylateMFCD066577521,3-Piperidinedicarboxylic acid, 3-ethyl 1-(phenylmethyl) ester1-O-benzyl 3-O-ethyl piperidine-1,3-dicarboxylate1-Benzyl 3-ethyl piperidine-13-dicarboxylateEthyl N-Cbz-piperidine-3-carboxylateEthyl-N-CBZ-piperidine-3-carboxylate1-Cbz-piperidine-3-carboxylic acid ethyl esterO1-benzyl O3-ethyl piperidine-1,3-dicarboxylateSCHEMBL1468838DTXSID30592327N-Cbz-nipecotic acid ethyl esterNJRONXOELMBCSE-UHFFFAOYSA-NSBB068628AKOS008932800AB39344

REACTIONS