3-(N-Boc)-(2-aminoethyl)azetidine 分子结构式
HCID37818431

3-(N-Boc)-(2-aminoethyl)azetidine

tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate

C10H20N2O2200.28 g/molCAS 162696-31-3

IDENTITY

结构与身份

标准SMILES
CC(C)(C)OC(=O)NCCC1CNC1
InChIKey
CSPJUZSNJFANNU-UHFFFAOYSA-N
分子式
C10H20N2O2
平均分子量
200.28 g/mol
单同位素质量
200.15247789

COMPUTED

结构计算性质

已同步
XLogP
0.9
极性表面积
50.4 Ų
氢键供体
2
氢键受体
3
可旋转键
5
重原子
14
形式电荷
0
复杂度
195

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 30 条
162696-31-33-(N-BOC)-(2-AMINOETHYL)AZETIDINERefChem:495655802-191-33-Boc-aminoethylazetidine3-(N-Boc-Aminoethyl)azetidinetert-butyl N-[2-(azetidin-3-yl)ethyl]carbamatetert-butyl (2-(azetidin-3-yl)ethyl)carbamateMFCD098786053-(2-N-BOC-AMINOETHYL)AZETIDINEtert-butyl 2-(azetidin-3-yl)ethylcarbamate3-(N-Boc-Aminoethyl)azetidine?tert-Butyl [2-(azetidin-3-yl)ethyl]carbamate3-[2-(Boc-amino)ethyl]azetidineCARBAMIC ACID, N-[2-(3-AZETIDINYL)ETHYL]-, 1,1-DIMETHYLETHYL ESTERSCHEMBL5969026CSPJUZSNJFANNU-UHFFFAOYSA-NCS-B04493-t-butoxycarbonylaminoethylazetidineAKOS005258722

REACTIONS

参与反应

15
HRID 874 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723444

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HRID 875 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723444

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HRID 196298 反应方程式

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

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HRID 341815 反应方程式

uspto-grants-1999_01 · 10.6084/m9.figshare.5104873.v1 · US05856307

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HRID 341816 反应方程式

uspto-grants-1999_01 · 10.6084/m9.figshare.5104873.v1 · US05856307

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HRID 1415968 反应方程式

uspto-grants-1999_06 · 10.6084/m9.figshare.5104873.v1 · US05910498

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HRID 1450718 反应方程式

uspto-grants-1997_02 · 10.6084/m9.figshare.5104873.v1 · US05602253

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HRID 1450719 反应方程式

uspto-grants-1997_02 · 10.6084/m9.figshare.5104873.v1 · US05602253

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