tert-Butyl 3-butyn-1-ylcarbamate

HCID 10725815

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 149990-27-2
Standard-SMILES: C#CCCNC(=O)OC(C)(C)C
InChIKey: BWNQTGRBVMERHU-UHFFFAOYSA-N
Summenformel: C9H15NO2
Durchschnittliche Molmasse: 169,22 g/mol
Monoisotopische Masse: 169,11027872

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 3-butyn-1-ylcarbamate
IUPAC: tert-butyl N-but-3-ynylcarbamate
Englischer Name: tert-Butyl but-3-yn-1-ylcarbamate
Summenformel: C9H15NO2
Molmasse: 169.22

Namen und Synonyme

TERT-BUTYL 3-BUTYN-1-YLCARBAMATERefChem:893288860-559-9tert-Butyl but-3-yn-1-ylcarbamate149990-27-2Tert-butyl N-but-3-ynylcarbamatetert-butyl but-3-ynylcarbamateMFCD10698150N-Boc-3-butyn-1-amineCarbamic acid, N-3-butyn-1-yl-, 1,1-dimethylethyl esterCARBAMIC ACID, 3-BUTYNYL-, 1,1-DIMETHYLETHYL ESTER (9CI)TERT-BUTYL N-(BUT-3-YN-1-YL)CARBAMATE

Weitere Namen anzeigen

N-Boc-but-3-yn-1-amineTert-Butylbut-3-ynylcarbamate1,1-Dimethylethyl N-3-butyn-1-ylcarbomateBut-3-ynyl-carbaMic acid tert-butyl esterTert-Butyl But-3-Yn-1-Ylcarbamate(WXC01948)

CARBAMIC ACID, 3-BUTYNYL-, 1,1-DIMETHYLETHYL ESTERN-Boc Homo propargyl amineSCHEMBL479811orb3176779DTXSID80443951BWNQTGRBVMERHU-UHFFFAOYSA-Ntert-Butylbut-3-yn-1-ylcarbamateN-BOC-BUT-3YN-1-YLAMINE

Datenbank-Bezeichner

CAS: 149990-27-2
PubChem CID: 10725815
DTXSID: DTXSID80443951
EC Number: 860-559-9
Nikkaji: J903.228B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 194

Physikochemische Eigenschaften

Siedepunkt: 250.5 · 250.5±23.0 °C(Predicted)
Dichte: 0.976 · 0.976±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 12.11 · 12.11±0.46(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (33.3%): 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]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 3 reports by companies from 3 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.