tert-butyl N-methyl-N-(prop-2-yn-1-yl)carbamate

HCID 18366137

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 124045-51-8
標準SMILES: C#CCN(C)C(=O)OC(C)(C)C
InChIKey: QVMLIHFGUIRVKU-UHFFFAOYSA-N
分子式: C9H15NO2
平均分子量: 169.22 g/mol
単同位体質量: 169.11027872

名称と識別子

優先名称: tert-butyl N-methyl-N-(prop-2-yn-1-yl)carbamate
IUPAC: tert-butyl N-methyl-N-prop-2-ynylcarbamate
英語名: tert-butyl methyl(prop-2-ynyl)carbamate
分子式: C9H15NO2
分子量: 169.22

名称と別名

tert-butyl N-methyl-N-(prop-2-yn-1-yl)carbamateRefChem:896452829-106-2124045-51-8tert-Butyl methyl(prop-2-yn-1-yl)carbamatetert-butyl N-methyl-N-prop-2-ynylcarbamateMFCD22548360N-Boc-N-methyl-propargylamineCarbamic acid, N-methyl-N-2-propyn-1-yl-, 1,1-dimethylethyl esterTERT-BUTYL METHYL(PROP-2-YNYL)CARBAMATEN-Boc-N-methyl-2-propyn-1-aminetert-butyl N-methyl-N-prop-2-ynyl-carbamate

名称をさらに表示

N-t-butoxycarbonyl-N-methylpropargylamineCarbamic acid, methyl-2-propynyl-, 1,1-dimethylethyl ester

N-Boc-N-methylpropargylamineBoc-N-methypropargylamineBoc-N-methylpropargylamineN-Boc-N-methylpropargyl amineSCHEMBL1743767DTXSID50593159QVMLIHFGUIRVKU-UHFFFAOYSA-NZEA04551

データベース識別子

CAS: 124045-51-8
PubChem CID: 18366137
DTXSID: DTXSID50593159
EC Number: 829-106-2
Nikkaji: J2.444.151B

物性

構造計算による物性

XLogP: 1.2
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 206

物理化学的性質

沸点: 206.9 · 206.9±19.0 °C(Predicted)
比重(密度): 0.985 · 0.985±0.06 g/cm3(Predicted)
酸解離定数(Pka): -1.73 · -1.73±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 4 (50%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H227

化学と産業

サプライヤー31 社

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

武汉布林科技有限公司3456065315 13260619011 · [email protected]

化合物ノート

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