N-Benzyloxycarbonyl-L-asparaginsure

N-(Benzyloxycarbonyl)aspartic acid

HCID 2723942CAS 1152-61-0

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Grundinformationen

Standard-SMILES: O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O
InChIKey: XYXYXSKSTZAEJW-VIFPVBQESA-N
Summenformel: C12H13NO6
Durchschnittliche Molmasse: 267,23 g/mol
Monoisotopische Masse: 267,07428714

Namen und Bezeichner

Bevorzugter Name: N-(Benzyloxycarbonyl)aspartic acid
IUPAC: (2S)-2-(phenylmethoxycarbonylamino)butanedioic acid
Lokaler Name: N-Benzyloxycarbonyl-L-asparaginsure
Englischer Name: N-Carbobenzyloxy-L-aspartic acid
Summenformel: C12H13NO6
Molmasse: 267.23

Namen und Synonyme

N-Carbobenzoxy-L-aspartic acidN-Carbobenzyloxy-L-aspartic acidN-(Benzyloxycarbonyl)aspartic acidL-Aspartic acid, N-[(phenylmethoxy)carbonyl]-N-Benzyloxycarbonyl-L-aspartic acidN-Benzyloxycarbonylaspartic acidN-(Benzyloxycarbonyl)-L-aspartic acidAspartic acid, N-(benzyloxy)carbonyl-Aspartic acid, N-carboxy-, N-benzyl ester, L-56P9JC41T2NSC 9972EINECS 214-568-4

Weitere Namen anzeigen

Z-ASPCBZ-ASP-OHZ-ASP-OHCBZ-L-ASPN-CBZ-L-ASPARTIC ACIDZ-L-ASP-OHCBZ-L-Asp-OHCbz-L-AsparticN-Cbz-L-Asp-OH

L-Aspartic acid, N-((phenylmethoxy)carbonyl)-NSC 88479BENZYLOXYCARBONYL-L-ASPARTIC ACIDJ80.205KNSC-9972NSC-88479N-((PHENYLMETHOXY)CARBONYL)-L-ASPARTIC ACID(S)-2-(((BENZYLOXY)CARBONYL)AMINO)BUTANEDIOIC ACID

Datenbank-Bezeichner

CAS: 1152-61-0
PubChem CID: 2723942
DTXSID: DTXSID9027368
ChEMBL: CHEMBL1222275
UNII: 56P9JC41T2
EC Number: 214-568-4
Nikkaji: J80.205K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 113 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 7
Schwere Atome: 19
Formalladung: 0
Komplexität: 337

Physikochemische Eigenschaften

Schmelzpunkt: 117 · 117-119 °C (lit.)
Siedepunkt: 410.42 °C · 410.42°C (rough estimate)
Dichte: 1.3276 · 1.3276 (rough estimate)
Brechungsindex: 9.5 ° · 9.5 ° (C=7, AcOH)
storage temp.: 2 · 2-8°C
Löslichkeit: almost transparency in Methanol
pka: 3.75 · 3.75±0.23(Predicted)
Aggregatzustand: Fine Crystalline Powder
Farbe: White
BRN: 2336722 · 2336722
Major Application: peptide synthesis
InChI: 1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
InChIKey: XYXYXSKSTZAEJW-VIFPVBQESA-N
SMILES: OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(O)=O
CAS Datenbank: 1152 · 1152-61-0(CAS DataBase Reference)
EPA chemische Informationen: N-Carbobenzyloxy-L-aspartic acid (1152-61-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29242990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationL-Aspartic acid, N-[(phenylmethoxy)carbonyl]-: INACTIVE

Anwendungen · 1 Eintrag

VerwendenN-Cbz-L-aspartic acid is an N-Cbz-protected form of L-Aspartic acid (A790024). L-Aspartic acid is a nonessential amino acid that is used to biosynthesize other amino acids within the human body. L-Aspartic acid also increases membrane conductance of mammalian neurons by voltage-dependent means, causing depolarization and nerve impulses that travel to key areas of the central nervous system.