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

HCID 18366137

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Grundinformationen

CAS: 124045-51-8
Standard-SMILES: C#CCN(C)C(=O)OC(C)(C)C
InChIKey: QVMLIHFGUIRVKU-UHFFFAOYSA-N
Summenformel: C9H15NO2
Durchschnittliche Molmasse: 169,22 g/mol
Monoisotopische Masse: 169,11027872

Namen und Bezeichner

Bevorzugter Name: tert-butyl N-methyl-N-(prop-2-yn-1-yl)carbamate
IUPAC: tert-butyl N-methyl-N-prop-2-ynylcarbamate
Englischer Name: tert-butyl methyl(prop-2-ynyl)carbamate
Summenformel: C9H15NO2
Molmasse: 169.22

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 206

Physikochemische Eigenschaften

Siedepunkt: 206.9 · 206.9±19.0 °C(Predicted)
Dichte: 0.985 · 0.985±0.06 g/cm3(Predicted)
pka: -1.73 · -1.73±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.