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

tert-Butyl methyl(prop-2-yn-1-yl)carbamate · N-Boc-N-methyl-propargylamine · N-Boc-N-methyl-2-propyn-1-amine · tert-butyl methyl(prop-2-ynyl)carbamate · N-t-butoxycarbonyl-N-methylpropargylamine · tert-butyl N-methyl-N-prop-2-ynylcarbamate · tert-Butyl N-methyl-N-(prop-2-yn-1-yl)carbamate · Carbamic acid, methyl-2-propynyl-, 1,1-dimethylethyl ester

https://huagongshe.com/de/chemical/18366137

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

Identifikatoren & physikalische Daten

CAS No.	124045-51-8
Summenformel	C9H15NO2
Durchschnittliche Molmasse	169,22 g/mol
Monoisotopische Masse	169,11027872 g/mol
SMILES	C#CCN(C)C(=O)OC(C)(C)C
InChIKey	QVMLIHFGUIRVKU-UHFFFAOYSA-N
PubChem CID	18366137
EC No.	829-106-2
DTXSID	DTXSID50593159

Chemische & physikalische Eigenschaften

XLogP	1,2
Polarare Oberfläche (TPSA)	29,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	12
Formalladung	0
Komplexität	206
Siedepunkt	206.9±19.0 °C(Predicted)
Dichte	0.985±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	-1.73±0.70(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH227 (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 exposureRespiratory 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.
Hazard Classes and Categories	Flam. Liq. 4 (50%)Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H227