L-2,4-Diaminobuttersuredihydrochlorid
2,4-Diaminobutyric acid dihydrochloride, (+-)-
Grundinformationen
- CAS
1883-09-6- Standard-SMILES
Cl.Cl.NCCC(N)C(=O)O- InChIKey
CKAAWCHIBBNLOJ-UHFFFAOYSA-N- Summenformel
- C4H12Cl2N2O2
- Durchschnittliche Molmasse
- 191,05 g/mol
- Monoisotopische Masse
- 190,027583
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Diaminobutyric acid dihydrochloride, (+-)-
- IUPAC
- 2,4-diaminobutanoic acid;dihydrochloride
- Lokaler Name
- L-2,4-Diaminobuttersuredihydrochlorid
- Englischer Name
- L-2,4-Diaminobutyric acid dihydrochloride
- Summenformel
- C4H12Cl2N2O2
- Molmasse
- 191.06
Namen und Synonyme
RefChem:57133626889-08-72,4-Diaminobutyric acid dihydrochloride, (+-)-65427-54-5DL-2,4-Diaminobutyric acid dihydrochloride2,4-diaminobutanoic acid dihydrochlorideH-DL-Dab.2HClMFCD00012910Butanoic acid, 2,4-diamino-, dihydrochloride2,4-diaminobutyric acid dihydrochloride2,4-diaminobutanoic acid;dihydrochlorideDL-Dab.2HCl
Weitere Namen anzeigen
H-Dab-OHL-2,4-Diaminobutyric acidH-L-Dab-OHH-DAB-OH HCLH-DAB-OH 2HCLL-Dab-OH·2HClH-Dab-OH.DCHAL-Daba-OH.2HClH-Daba-OH.2HClH-L-DAB-OH 2HCL
DL-Daba-OH.2HClM03239H-DL-DAB-OH.2HClH-D-Dab-OH hydrochloride saltButanoic acid, 2,4-diamino-, dihydrochloride (9CI); Butanoic acid, 2,4-diamino-, dihydrochloride, (+/-)-; 2,4-Diaminobutanoic acid dihydrochloride; 2,4-Diaminobutyric acid dihydrochloride; NSC 41117; dl-2,4-Diaminobutyric acid dihydrochlorideEINECS 265-774-6NSC 41117DL-DAB 2HCl
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 89,3 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 84,1
Physikochemische Eigenschaften
- Schmelzpunkt
- 197 · 197-200 °C (dec.)
- Brechungsindex
- 14.5 ° · 14.5 ° (C=3.6, H2O)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- 0.5 g/10 · water: soluble0.5g/10 mL
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Wasserlöslichkeit
- very faint turbidity
- BRN
- 5763078 · 5763078
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H
- InChIKey
- CKAAWCHIBBNLOJ-UHFFFAOYSA-N
- SMILES
- C(N)(C(=O)O)CCN.Cl.Cl
- CAS Datenbank
- 1883 · 1883-09-6(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
H314 (92.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1B (92.7%)
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- hs_code
- 29224999
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-36/39-24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationButanoic acid, 2,4-diamino-, hydrochloride (1:2): INACTIVE
Anwendungen
VerwendenL-2,4-Diaminobutyric Acid dihydrochloride is a pharmacological tool and potential chiral building block. 2,4-Diaminobutyric Acid is also used as an internal standard for amino acid analysis. 2,4-Diaminobutyric Acid i s also found to inhibit GABA transaminase, thus producing an elevation of GABA level, and to have an antitumor activity in vitro and in vivo against mouse fibrosarcoma cells.
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