N-Benzyloxycarbonyl-L-leucin

Leucine, N-carboxy-, N-benzyl ester, L-

HCID 74840CAS 2018-66-8

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Grundinformationen

Standard-SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O
InChIKey: USPFMEKVPDBMCG-LBPRGKRZSA-N
Summenformel: C14H19NO4
Durchschnittliche Molmasse: 265,3 g/mol
Monoisotopische Masse: 265,13140809

Überblick

N-benzyloxycarbonyl-L-leucine is a L-leucine derivative obtained by the substitution of a benzyloxycarbonyl group on the nitrogen atom. It is a carbamate ester and a L-leucine derivative. It is a conjugate acid of a N-benzyloxycarbonyl-L-leucinate.

Namen und Bezeichner

Bevorzugter Name: Leucine, N-carboxy-, N-benzyl ester, L-
IUPAC: (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
Lokaler Name: N-Benzyloxycarbonyl-L-leucin
Englischer Name: N-Cbz-L-Leucine
Summenformel: C14H19NO4
Molmasse: 265.3

Namen und Synonyme

N-Benzyloxycarbonyl-L-leucineCarbobenzoxy-L-leucineN-Carbobenzoxy-L-leucineCarbobenzoxyleucineCarbobenzyloxy-L-leucineBenzyloxycarbonylleucineN-BenzyloxycarbonylleucineLeucine, N-carboxy-, N-benzyl ester, L-NSC 60039N-((Phenylmethoxy)carbonyl)-L-leucineN-[(phenylmethoxy)carbonyl]-L-leucineL-N-Carboxyleucine N-benzyl ester

Weitere Namen anzeigen

CBZ-LEU-OHZ-LEU-OHZ-LEUCBZ-L-LEU-OHN-CARBOBENZYLOXY-L-LEUCINECbz-LeuZ-LEUCINEZ-L-LEU-OHZ-L-LEUCINE

EINECS 217-960-3BRN 1253861L-Leucine, N-((phenylmethoxy)carbonyl)-CHEBI:28282DTXSID801740113-06-00-01503 (Beilstein Handbook Reference)L-Leucine, N-[(phenylmethoxy)carbonyl]-RefChem:798977

Datenbank-Bezeichner

CAS: 2018-66-8
PubChem CID: 74840
DTXSID: DTXSID80174011
ChEBI: CHEBI:28282
UNII: P48HHX9XNP
EC Number: 217-960-3
Nikkaji: J71.248E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 7
Schwere Atome: 19
Formalladung: 0
Komplexität: 298

Physikochemische Eigenschaften

Siedepunkt: 408.52 °C · 408.52°C (rough estimate)
Dichte: 1 g/mL · 1 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.512(lit.)
Flammpunkt: 85 °F · 85 °F
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Aggregatzustand: viscous liquid
pka: 4 · 4.00±0.21(Predicted)
Farbe: Colorless to Light yellow
Wichte: 1 · 1.0
Wasserlöslichkeit: Not miscible or difficult to mix in water. Soluble in chloroform, DMSO and methanol.
BRN: 1253861 · 1253861
Major Application: peptide synthesis
InChI: 1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKey: USPFMEKVPDBMCG-LBPRGKRZSA-N
SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(O)=O
CAS Datenbank: 2018 · 2018-66-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H226 (20%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.