2-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acid

HCID 5166119

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Grundinformationen

CAS: 119479-32-2
Standard-SMILES: C=CCC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: BUPDPLXLAKNJMI-UHFFFAOYSA-N
Summenformel: C10H17NO4
Durchschnittliche Molmasse: 215,25 g/mol
Monoisotopische Masse: 215,11575802

Namen und Bezeichner

Bevorzugter Name: 2-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
Englischer Name: 2-(Tert-Butoxycarbonylamino)Pent-4-Enoic Acid
Summenformel: C10H17NO4
Molmasse: 215.25

Namen und Synonyme

2-{[(tert-butoxy)carbonyl]amino}pent-4-enoic acid2-(((tert-butoxy)carbonyl)amino)pent-4-enoic acidRefChem:447187845-933-1119479-32-22-((tert-Butoxycarbonyl)amino)pent-4-enoic acid2-(TERT-BUTOXYCARBONYLAMINO)PENT-4-ENOIC ACID4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-(Boc-amino)-4-pentenoic acidMFCD026824452-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic Acid2-((tert-Butoxycarbonyl)amino)pent-4-enoicacid

Weitere Namen anzeigen

Boc-DL-Allylglycine2-Boc-AMino-4-pentenoic acidN-tert-Butoxycarbonyl-dl-allylglycine2-tertbutyloxycarbonylamino-4-pentyleneacid2-((tert-butyloxycarbonyl)amino)-4-pentenoic acid

2-[(tert-butoxycarbonyl)amino]pent-4-enoic acidBoc-D-Allylglycine.DCHABoc-l-beta-algL-Boc-Allylglycine2-(BOC-AMINO)PENT-4-ENOIC ACIDBoc-DL-Allyl-Gly-OHSCHEMBL212773DTXSID10409080

Datenbank-Bezeichner

CAS: 119479-32-2
PubChem CID: 5166119
DTXSID: DTXSID10409080
EC Number: 845-933-1
Nikkaji: J686.564J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 15
Formalladung: 0
Komplexität: 255

Physikochemische Eigenschaften

Schmelzpunkt: 109 °C · 109 °C(Solv: dichloromethane (75-09-2); pentane (109-66-0))
Siedepunkt: 352 · 352.0±35.0 °C(Predicted)
Dichte: 1.097 · 1.097±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 3.83 · 3.83±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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]

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, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.