N-(tert-butoxycarbonyl)-L-aspartic acid

HCID 99718CAS 13726-67-5

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O
InChIKey: KAJBMCZQVSQJDE-YFKPBYRVSA-N
Summenformel: C9H15NO6
Durchschnittliche Molmasse: 233,22 g/mol
Monoisotopische Masse: 233,0899372

Überblick

Nalpha-(tert-butoxycarbonyl)-l-aspartic acid is an aspartic acid derivative.

Namen und Bezeichner

Bevorzugter Name: N-(tert-butoxycarbonyl)-L-aspartic acid
IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid

Namen und Synonyme

13726-67-5N-(tert-Butoxycarbonyl)-L-aspartic acidEINECS 237-294-7DTXSID301286262NSC 186910N-tert-Butoxycarbonyl-L-aspartic acidRefChem:828685DTXCID301716934237-294-7Boc-Asp-OHBoc-L-aspartic acidN-Boc-L-aspartic Acid

Weitere Namen anzeigen

L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-Boc-L-Asp-OH(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acidMFCD00037279N-Boc aspartic acid(TERT-BUTOXYCARBONYL)-L-ASPARTIC ACIDCHEBI:191068tert-butyloxycarbonyl-L-aspartic acid

Datenbank-Bezeichner

CAS: 13726-67-5
PubChem CID: 99718
DTXSID: DTXSID301286262
ChEMBL: CHEMBL17509
ChEBI: CHEBI:191068
EC Number: 237-294-7
Nikkaji: J278.016J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 113 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 6
Schwere Atome: 16
Formalladung: 0
Komplexität: 293

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

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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.