2-N-Boc-aminopropionic acid

HCID 268471

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Grundinformationen

CAS: 3744-87-4
Standard-SMILES: CC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: QVHJQCGUWFKTSE-UHFFFAOYSA-N
Summenformel: C8H15NO4
Durchschnittliche Molmasse: 189,21 g/mol

Namen und Bezeichner

Bevorzugter Name: 2-N-Boc-aminopropionic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Englischer Name: Boc-DL-alanine
Summenformel: C8H15NO4
Molmasse: 189.21

Namen und Synonyme

2-N-Boc-aminopropionic acidRefChem:476330846-704-93744-87-4Boc-DL-Ala-OHBOC-DL-ALANINE2-((tert-Butoxycarbonyl)amino)propanoic acidn-boc-dl-alaninetert-Butoxycarbonyl-DL-alaninedl-n-boc-alanine2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidMFCD00063124

Weitere Namen anzeigen

Boc-DL-AlaBoc-DL-alanine99%Boc-DL-Ala-OH98.5+%Boc-DL-alanine ,98%N-Boc-DL-alanine,97%Atazanavir Impurity 52Boc-DL-alanine USP/EP/BP2-N-Boc-aMino-propionic acid

N-(tert-Butoxycarbonyl)alanine2-(tert-butoxycarbonylamino)propanoic acid(tert-Butoxycarbonyl)DL-alanine2-[(tert-butoxycarbonyl)amino]propanoic acidM06166tert.-butoxycarbonylamino-propionic acid2-(tert-butoxycarbonylamino)-propionic acid2-{[(tert-butoxy)carbonyl]amino}propanoic acid

Datenbank-Bezeichner

CAS: 3744-87-4
PubChem CID: 268471
EC Number: 846-704-9
Nikkaji: J1.293.181F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 207

Physikochemische Eigenschaften

Schmelzpunkt: 109 °C · 109 °C
Siedepunkt: 320.9 · 320.9±25.0 °C(Predicted)
Dichte: 1.126 · 1.126±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 1 % · Soluble in water or 1% acetic acid
Aggregatzustand: Powder
pka: 4.02 · 4.02±0.10(Predicted)
Farbe: White to off-white
CAS Datenbank: 3744 · 3744-87-4(CAS DataBase Reference)

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, P317, 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.