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

HCID 21955469CAS 169750-93-0

基本情報

標準SMILES: CC(C)(C)OC(=O)NCCC1CCNC1
InChIKey: OWGYHEOEGOLPEK-UHFFFAOYSA-N
分子式: C11H22N2O2
平均分子量: 214.3 g/mol
単同位体質量: 214.16812795

名称と識別子

優先名称: tert-butyl N-[2-(pyrrolidin-3-yl)ethyl]carbamate
IUPAC: tert-butyl N-(2-pyrrolidin-3-ylethyl)carbamate
英語名: tert-butyl 2-(pyrrolidin-3-yl)ethylcarbamate
分子式: C11H22N2O2
分子量: 214.3

名称と別名

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)ethylcarbamate

名称をさらに表示

3-(2-N-Boc-aminoethyl)pyrrolidine[2-(3-Pyrrolidinyl)ethyl]carbamic acid tert-butyl esterCarbaMic acid, N-[2-(3-pyrrolidinyl)ethyl]-,1,1-diMethylethyl ester

3-(N-boc-aminoethyl)pyrrolidineSCHEMBL45207453-(2-Boc-aminoethyl)pyrrolidineDTXSID00620742OWGYHEOEGOLPEK-UHFFFAOYSA-NCarbamic acid, [2-(3-pyrrolidinyl)ethyl]-, 1,1-dimethylethyl esterAKOS015909751DB-064752

データベース識別子

CAS: 169750-93-0
PubChem CID: 21955469
DTXSID: DTXSID00620742
EC Number: 823-394-3

物性

構造計算による物性

XLogP: 1.2
極性表面積: 50.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 15
形式電荷: 0
複雑度: 211

物理化学的性質

沸点: 319.8 · 319.8±15.0 °C(Predicted)
比重(密度): 0.986 · 0.986
外見: liquid
酸解離定数(Pka): 12.85 · 12.85±0.46(Predicted)
色: Clear

安全と法規制

GHS分類

GHS Classification · 5 件

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.