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HCID 7269338Erstellt: 27. Oktober 2026

(2S)-5-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}pentanoic acid

BOC-ORN(Z)-OH · (S)-5-(((Benzyloxy)carbonyl)aMino)-2-((tert-butoxycarbonyl)aMino)pentanoic acid · BOC-L-ORN(Z)-OH · Nα-(tert-Butoxycarbonyl)-Nδ-carbobenzoxy-L-ornithine · Nsc333494 · Z-Orn(Boc) · Boc-Orn(Z) · BOC-ORN(CBZ)-OH

https://huagongshe.com/de/chemical/7269338

Molekülstruktur von (2S)-5-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}pentanoic acid

Identifikatoren & physikalische Daten

CAS No.	2480-93-5
Summenformel	C18H26N2O6
Durchschnittliche Molmasse	366,4 g/mol
Monoisotopische Masse	366,17908655 g/mol
SMILES	CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O
InChIKey	QYYCZJUFHDLLOJ-AWEZNQCLSA-N
PubChem CID	7269338
EC No.	691-656-2
DTXSID	DTXSID10428478

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	114
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	11
Schwere Atome	26
Formalladung	0
Komplexität	469
Schmelzpunkt	92.0 to 95.0 °C
Siedepunkt	579.1±50.0 °C(Predicted)
Dichte	1.193±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	almost transparency in Methanol
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	3.96±0.21(Predicted)
Farbe	White to Almost white
BRN	2783761
Hauptanwendungen	peptide synthesis
InChI	InChI=1S/C18H26N2O6/c1-18(2,3)26-17(24)20-14(15(21)22)10-7-11-19-16(23)25-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1
InChIKey	QYYCZJUFHDLLOJ-AWEZNQCLSA-N
SMILES	C(O)(=O)[C@H](CCCNC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O
CAS Datenbank	2480-93-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (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.
Hazard Classes and Categories	Skin Irrit. 2 (50%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2924 29 70
Sicherheitshinweise (S)	24/25
Gefahrenklasse	IRRITANT
Lagerklasse	11 - Combustible Solids

CAS No.

2480-93-5

Summenformel

C18H26N2O6

Durchschnittliche Molmasse

366,4 g/mol

Monoisotopische Masse

366,17908655 g/mol

SMILES

CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O

InChIKey

QYYCZJUFHDLLOJ-AWEZNQCLSA-N

PubChem CID

7269338

EC No.

691-656-2

DTXSID

DTXSID10428478

Chemische & physikalische Eigenschaften

XLogP

2,5

Polarare Oberfläche (TPSA)

114

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

469

Schmelzpunkt

92.0 to 95.0 °C

Siedepunkt

579.1±50.0 °C(Predicted)

Dichte

1.193±0.06 g/cm3(Predicted)

Lagerbedingungen

Sealed in dry,Room Temperature

Löslichkeit

almost transparency in Methanol

Aggregatzustand

powder to crystal

pKa (Säurekonstante)

3.96±0.21(Predicted)

Farbe

White to Almost white

BRN

2783761

Hauptanwendungen

peptide synthesis

InChI

InChI=1S/C18H26N2O6/c1-18(2,3)26-17(24)20-14(15(21)22)10-7-11-19-16(23)25-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1

InChIKey

QYYCZJUFHDLLOJ-AWEZNQCLSA-N

SMILES

C(O)(=O)[C@H](CCCNC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O

CAS Datenbank

2480-93-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (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.

Hazard Classes and Categories

Skin Irrit. 2 (50%)

Wassergefährdungsklasse (WGK)

Zollcode

2924 29 70

Sicherheitshinweise (S)

24/25

Gefahrenklasse

IRRITANT

Lagerklasse

11 - Combustible Solids