tert-butyl N-(pent-4-yn-1-yl)carbamate

HCID 22904935

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Grundinformationen

CAS: 151978-50-6
Standard-SMILES: C#CCCCNC(=O)OC(C)(C)C
InChIKey: JTPJJKZSKWNWKK-UHFFFAOYSA-N
Summenformel: C10H17NO2
Durchschnittliche Molmasse: 183,25 g/mol
Monoisotopische Masse: 183,12592879

Namen und Bezeichner

Bevorzugter Name: tert-butyl N-(pent-4-yn-1-yl)carbamate
IUPAC: tert-butyl N-pent-4-ynylcarbamate
Englischer Name: Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)
Summenformel: C10H17NO2
Molmasse: 183.25

Namen und Synonyme

TERT-BUTYL N-(PENT-4-YN-1-YL)CARBAMATERefChem:896383695-496-4N-Boc-4-pentyne-1-amine151978-50-6tert-Butyl pent-4-yn-1-ylcarbamatetert-butyl N-pent-4-ynylcarbamateN-Boc-5-amino-1-pentyneMFCD200362874-Pentynylcarbamic acid tert-butyl estertert-Butyl (4-pentynyl)carbamateN-Boc-4-pentyn-1-amine

Weitere Namen anzeigen

tert-butyl pent-4-ynylcarbamateN-Boc-4-pentyne-1-amine >=95% (GC)

Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)Carbamic acid, N-4-pentyn-1-yl-, 1,1-dimethylethyl esterPent-4-ynyl-carbamic acid tert-butyl esterN-(Boc)-5-pentyneamineSCHEMBL312362orb1307347orb1940645tert-butyl(4-pentynyl)carbamate

Datenbank-Bezeichner

CAS: 151978-50-6
PubChem CID: 22904935
DTXSID: DTXSID30628837
EC Number: 695-496-4
Nikkaji: J903.229K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 13
Formalladung: 0
Komplexität: 207

Physikochemische Eigenschaften

Siedepunkt: 267.2 · 267.2±23.0 °C(Predicted)
Dichte: 0.965 · 0.965±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 12.61 · 12.61±0.46(Predicted)
Aggregatzustand: Solid
Farbe: White to off-white
BRN: 6918435 · 6918435
InChI: InChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKey: JTPJJKZSKWNWKK-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NCCCC#C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (95%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.