结构:CC(C)(C)OC(=O)NCCC1CCNC1
HCID21955469

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

tert-butyl N-(2-pyrrolidin-3-ylethyl)carbamate

C11H22N2O2214.3 g/molCAS 169750-93-0

IDENTITY

结构与身份

标准 SMILES
CC(C)(C)OC(=O)NCCC1CCNC1
InChIKey
OWGYHEOEGOLPEK-UHFFFAOYSA-N
分子式
C11H22N2O2
平均分子量
214.3 g/mol
单同位素质量
214.16812795

COMPUTED

结构计算性质

已同步
XLogP
1.2
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
15
形式电荷
0
复杂度
211

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

29
TERT-BUTYL N-[2-(PYRROLIDIN-3-YL)ETHYL]CARBAMATEtert-butyl N-(2-(pyrrolidin-3-yl)ethyl)carbamateRefChem:895582823-394-3169750-93-0tert-Butyl (2-(pyrrolidin-3-yl)ethyl)carbamatetert-butyl 2-(pyrrolidin-3-yl)ethylcarbamatetert-butyl N-(2-pyrrolidin-3-ylethyl)carbamateMFCD128288301,1-Dimethylethyl N-[2-(3-pyrrolidinyl)ethyl]carbamatetert-Butyl [2-(pyrrolidin-3-yl)ethyl]carbamatetert-butyl 2-(3-pyrrolidinyl)ethylcarbamate3-(N-boc-aminoethyl)pyrrolidineSCHEMBL45207453-(2-Boc-aminoethyl)pyrrolidineDTXSID00620742OWGYHEOEGOLPEK-UHFFFAOYSA-NCarbamic acid, [2-(3-pyrrolidinyl)ethyl]-, 1,1-dimethylethyl esterAKOS015909751DB-064752

REACTIONS

参与反应

8
HRID135251

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为生成物
HRID 135251 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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