Grundinformationen
- CAS
305-62-4- Standard-SMILES
NCCC(N)C(=O)O- InChIKey
OGNSCSPNOLGXSM-UHFFFAOYSA-N- Summenformel
- C4H10N2O2
- Durchschnittliche Molmasse
- 118,13 g/mol
- Monoisotopische Masse
- 118,07422756
Überblick
2,4-diaminobutyric acid is a diamino acid that is butyric acid in which a hydrogen at position 2 and a hydrogen at position 4 are replaced by amino groups. It is a gamma-amino acid, a diamino acid and a non-proteinogenic alpha-amino acid. It is functionally related to a butyric acid.
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Diaminobutyric acid
- IUPAC
- 2,4-diaminobutanoic acid
- Lokaler Name
- 2,4-Diaminobuttersure
- Englischer Name
- 2,4-Diamino-butyric acid
- Summenformel
- C4H10N2O2
- Molmasse
- 118.13
Namen und Synonyme
2,4-Diaminobutanoic acid305-62-42,4-Diaminobutyric acidButanoic acid, 2,4-diamino-alpha,gamma-Diaminobutyric acid92V7KM11ZKCHEBI:64307DTXSID808627492,4-DIAMINOBUTYRIC ACID, DL-RefChem:908736DTXCID00811471206-166-2
Weitere Namen anzeigen
RARECHEM AK ZA 00032,4-diaminobutyricaci2,4-diaminobutanoicacid2,4-diamino-butanoicaciα,γ-Diaminobutyric acidR,S-2,4-DIAMINOBUTYRIC ACID2,4-bis(azanyl)butanoic acid
DL-2,4-Diaminobutyric acid2,4-Diamino-butyric acid2,4-diamino-butanoic acidButyric acid, 2,4-diamino-DL-2,4-Diamino-n-butyric acidCHEMBL307931(RS)-2,4-Diaminobutyric acid6970-28-1
Datenbank-Bezeichner
- CAS
305-62-4- PubChem CID
- 470
- DTXSID
DTXSID80862749- ChEMBL
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -4,6
- Polarare Oberfläche (TPSA)
- 89,3 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 84,1
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
LogP-4.64
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 144 °C · 144 °C
- Siedepunkt
- 220.67 °C · 220.67°C (rough estimate)
- Dichte
- 1.2188 · 1.2188 (rough estimate)
- Brechungsindex
- 1.4386 · 1.4386 (estimate)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- solid
- pka
- 1.85 · 1.85, 8.24, 10.44(at 25℃)
- InChI
- 1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
- InChIKey
- OGNSCSPNOLGXSM-UHFFFAOYSA-N
- SMILES
- NC(C(O)=O)CCN
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Sens. 1
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Anwendungen
Verwenden2,4-Diaminobutanoic Acid is a useful starting material.
Anbieter20 Anbieter
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