5-(Carbobenzoxyamino)valeric acid

HCID 3690024

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 23135-50-4
Standard-SMILES: O=C(O)CCCCNC(=O)OCc1ccccc1
InChIKey: QYYPKLYDFCYGPG-UHFFFAOYSA-N
Summenformel: C13H17NO4
Durchschnittliche Molmasse: 251,28 g/mol
Monoisotopische Masse: 251,11575802

Namen und Bezeichner

Bevorzugter Name: 5-(Carbobenzoxyamino)valeric acid
IUPAC: 5-(phenylmethoxycarbonylamino)pentanoic acid
Englischer Name: 5-(Carbobenzoxyamino)valeric acid
Summenformel: C13H17NO4
Molmasse: 251.28

Namen und Synonyme

5-(Carbobenzoxyamino)valeric AcidRefChem:530889874-734-223135-50-4Z-5-Ava-OH5-(((Benzyloxy)carbonyl)amino)pentanoic acid5-{[(benzyloxy)carbonyl]amino}pentanoic acid5-(benzyloxycarbonylamino)pentanoic acid5-BENZYLOXYCARBONYLAMINO-PENTANOIC ACID5-(phenylmethoxycarbonylamino)pentanoic acid5-(Carbobenzoxyamino)pentanoic AcidMFCD00188458

Weitere Namen anzeigen

delta-Carbobenzoxyaminovaleric acidN-δ-Carbobenzoxy-δ-aminovaleric acid5-(Carbobenzoxyamino)valeric Acid >5-(Benzyloxycarbonylamino)valeric acidN-Benzyloxycarbonyl-5-aminovaleric Acid5-(phenylmethoxycarbonylamino)pentanoicaci5-(CARBOBENZOXYAMINO)VALERIC ACID, 98+%(T)

Pentanoic acid, 5-[[(phenylmethoxy)carbonyl]amino]-5-(cbz-amino)pentanoic acidN-Cbz-5-aminopentanoic AcidN-Cbz-5-aminovaleric AcidZ-Ape(5)-OH5-(benzyloxycarbonylamino)valeric acidN-5-Carbobenzoxy-5-aminopentanoic acidCbz-5-Ava-OH

Datenbank-Bezeichner

CAS: 23135-50-4
PubChem CID: 3690024
DTXSID: DTXSID00395089
ChEMBL: CHEMBL4977709
EC Number: 874-734-2
Nikkaji: J1.143.118F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 8
Schwere Atome: 18
Formalladung: 0
Komplexität: 262

Physikochemische Eigenschaften

Schmelzpunkt: 106 °C · 106 °C
Siedepunkt: 459.9 · 459.9±38.0 °C(Predicted)
Dichte: 1.186 · 1.186±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.72 · 4.72±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Off-white
InChI: InChI=1S/C13H17NO4/c15-12(16)8-4-5-9-14-13(17)18-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,17)(H,15,16)
InChIKey: QYYPKLYDFCYGPG-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCNC(OCC1=CC=CC=C1)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Sicherheitsdaten

hs_code: 2924190090

Chemie und Industrie

Anwendungen

Verwenden5-(Carbobenzoxyamino)valeric acid is commonly used as a protected building block in peptide synthesis and medicinal chemistry, utilizing the CBZ group to shield the primary amine during reactions.