HCID23435803

tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate

C14H26N2O2254.37 g/molCAS 189333-03-7

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IDENTITY

结构与身份

标准 SMILES: CC(C)(C)OC(=O)N1CCCC2(CCNCC2)C1
InChIKey: UTFBOGXIVNMTCO-UHFFFAOYSA-N
分子式: C14H26N2O2
平均分子量: 254.37 g/mol
单同位素质量: 254.19942808

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 41.6 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 18
形式电荷: 0
复杂度: 303

GHS

GHS 分类

来源：PubChem

GHS Classification

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+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 Dam. 1 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 25 条

TERT-BUTYL 2,9-DIAZASPIRO[5.5]UNDECANE-2-CARBOXYLATEDTXSID00634061tert-butyl 2,9-diazaspiro(5.5)undecane-2-carboxylateRefChem:892216DTXCID80584813988-210-7189333-03-72,9-Diazaspiro[5.5]undecane-2-carboxylic acid tert-butyl ester2,9-DIAZASPIRO[5.5]UNDECANE-2-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTERMFCD112235102-BOC-2,9-DIAZASPIRO[5.5]UNDECANE2,9-Diazaspiro[5.5]undecane-2-carboxylicacid tert-butyl esterSCHEMBL807766CS-WAA0266PHA33303AKOS015950466GS-6406PB14913AC-30839SY027035

REACTIONS

参与反应

1 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID202515

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

作为反应物

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

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