(2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid
Grundinformationen
- CAS
25691-37-6- Standard-SMILES
CC(C)(C)OC(=O)N[C@@H](CCN)C(=O)O- InChIKey
MDCPCLPRWLKUIQ-LURJTMIESA-N- Summenformel
- C9H18N2O4
- Durchschnittliche Molmasse
- 218,25 g/mol
- Monoisotopische Masse
- 218,12665706
Namen und Bezeichner
- Bevorzugter Name
- (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid
- IUPAC
- (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- Englischer Name
- Boc-L-2,4-diaminobutyric acid
- Summenformel
- C9H18N2O4
- Molmasse
- 218.25
Namen und Synonyme
(2S)-4-amino-2-{[(tert-butoxy)carbonyl]amino}butanoic acid(2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acidRefChem:398624624-609-125691-37-6Boc-L-2,4-diaminobutyric acidBoc-Dab-OH(S)-4-Amino-2-((tert-butoxycarbonyl)amino)butanoic acidMFCD00236841N-Boc-4-amino-L-homoalanine1266500-89-3(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Weitere Namen anzeigen
BOC-DABBOC-L-DAB-OHN-alpha-Ac-Nγ(Tert-Butoxy)Carbonyl Dab-OHBoc-L-2,4-Dlaminobutyrlc AcidN?Boc-L-2,4-diaminobutyric acid
(S)-4-Amino-2-(tert-butoxycarbonylamino)butanoic acid(S)-4-Amino-2-(Boc-amino)butanoic Acid(2S)-4-azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate(S)-4-Amino-2-(tert-butoxycarbonylamino)butyric Acid(2S)-4-AMINO-2-[(TERT-BUTOXYCARBONYL)AMINO]BUTANOIC ACID(2S)-4-Amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]butanoic acidNa-Boc-L-2,4-diaminobutyric acidN-|A-Boc-L-2,4-Diaminobutyric acid
Datenbank-Bezeichner
- CAS
25691-37-6- PubChem CID
- 7019666
- DTXSID
DTXSID70427149- EC Number
- 624-609-1
- Nikkaji
- J1.955.433C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,3
- Polarare Oberfläche (TPSA)
- 102 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 235
Physikochemische Eigenschaften
- Schmelzpunkt
- 192 · 192-194 °C
- Siedepunkt
- 385.5 · 385.5±37.0 °C(Predicted)
- Dichte
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Methanol (Sparingly), Water (Slightly)
- Aggregatzustand
- Powder
- pka
- 3 · 3+-.0.10(Predicted)
- Farbe
- White to off-white
- BRN
- 4745487 · 4745487
- CAS Datenbank
- 25691 · 25691-37-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 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
- ridadr
- 3265
- hs_code
- 2922.49.8000
- risk_code
- 38-41
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- 8
- packing_group
- Ⅲ
Chemie und Industrie
Anwendungen
VerwendenBoc-L-2,4-diaminobutyric acid is a reagent used to synthesize somatostatin antagonist. It can also be used to develop blood coagulation factor Xa inhibitors.
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