4-(Methylamino)butyric acid
Grundinformationen
- CAS
1119-48-8- Standard-SMILES
CNCCCC(=O)O- InChIKey
AOKCDAVWJLOAHG-UHFFFAOYSA-N- Summenformel
- C5H11NO2
- Durchschnittliche Molmasse
- 117,15 g/mol
- Monoisotopische Masse
- 117,07897859
Überblick
4-(methylamino)butyric acid is a gamma-amino acid comprising that is GABA in which one of the hydrogens attached to the nitrogen is replaced by a methyl group. It is functionally related to a gamma-aminobutyric acid and a butyric acid. It is a conjugate acid of a 4-(methylamino)butyrate. It is a tautomer of a 4-(methylamino)butyric acid zwitterion.
Namen und Bezeichner
- Bevorzugter Name
- 4-(Methylamino)butyric acid
- IUPAC
- 4-(methylamino)butanoic acid
- Englischer Name
- 4-(Methylamino)butyric acid
- Summenformel
- C5H11NO2
- Molmasse
- 117.15
Namen und Synonyme
4-(Methylamino)butanoic acid1119-48-84-(Methylamino)butyric acidCHEBI:37755RefChem:516331N-METHYL-4-AMINOBUTYRIC ACIDButanoic acid, 4-(methylamino)-gamma-N-methylaminobutyrateN-Methyl-GABAMFCD00044627gamma-methylaminobutyric acid3LC3P8KU3H
Weitere Namen anzeigen
4-(methylamino)butyrate-(Methylamino)butyric acidN-Methyl-γ-aMinobutyric AcidButanoic acid,4-(MethylaMino)-
4-methylaminobutyric acid4-Methylamino-buttersaeureUNII-3LC3P8KU3H4-(N-methylamino)butyric acidAS-44843CS-0133777butanoic acid, 4-(methylamino)- hydrochlorideCCRIS 1632
Datenbank-Bezeichner
- CAS
1119-48-8- PubChem CID
- 70703
- DTXSID
DTXSID9073250- ChEMBL
CHEMBL2074955- ChEBI
CHEBI:37755- UNII
- 3LC3P8KU3H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,6
- Polarare Oberfläche (TPSA)
- 49,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 72,8
Physikochemische Eigenschaften
- Schmelzpunkt
- 150 · 150-152°C
- Siedepunkt
- 237.3 · 237.3±23.0 °C(Predicted)
- Dichte
- 1.023 · 1.023±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- Aggregatzustand
- Solid
- pka
- 4.42 · 4.42±0.10(Predicted)
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)
- InChIKey
- AOKCDAVWJLOAHG-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCNC
- EPA chemische Informationen
- 4 · Butanoic acid, 4-(methylamino)- (1119-48-8)
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H319
Chemie und Industrie
Anwendungen
VerwendenA GABA derivative and hydrolysis product of the industrial solvent, N-methyl-2-pyrrolidinone. Biologically it is a product of nicotine catabolism in bacteria and inhibits L-Carnitine from undergoing β -oxidation in mammals. It is commonly found in skin products to prevent wrinkles.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter69 Anbieter
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Zugehörige Reaktionen
4
Notizen zur Verbindung
Wird geladen…