CAS 6976-17-6 4-(Methylamino)butyric acid hydrochloride (HCID 12626654)

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Grundinformationen

CAS: 6976-17-6
Standard-SMILES: CNCCCC(=O)O.Cl
InChIKey: JMLHQRQZCMCQNJ-UHFFFAOYSA-N
Summenformel: C5H12ClNO2
Durchschnittliche Molmasse: 153,61 g/mol
Monoisotopische Masse: 153,0556563

Namen und Bezeichner

Bevorzugter Name: 4-(Methylamino)butyric acid hydrochloride
IUPAC: 4-(methylamino)butanoic acid;hydrochloride
Englischer Name: 4-(METHYLAMINO)BUTYRIC ACID HYDROCHLORIDE
Summenformel: C5H12ClNO2
Molmasse: 153.61

Namen und Synonyme

4-(Methylamino)butyric acid hydrochlorideRefChem:516332629-391-16976-17-64-(Methylamino)butanoic acid hydrochloride4-(Methylamino)-Butanoic Acid Hydrochloride4-(METHYLAMINO)BUTANOIC ACID HCLMFCD000126124-(methylamino)butanoic acid;hydrochloride4-(Methylamino)butanoic Acid Hydrochloride; 4-(Methylamino)butyric Acid Hydrochloride;4-(methylamino)butanoicacidhydrochlorideSCHEMBL380897

Weitere Namen anzeigen

MFCD000446274-methylammoniobutyrate4-methylammoniobutanoate4-methylazaniumylbutanoategamma-N-methylaminobutyrate4-(Methylamino)butyric acid HCl4-(Methylamino)butyric acid hydrochloride,99%4-(Methylamino)butyric acid hydrochloride 99%

DTXSID90504845JMLHQRQZCMCQNJ-UHFFFAOYSA-N4-(methylamino) butyric acid HClNSC24931NSC-24931AKOS0080306254-(methylamino)butanoic acid, chlorideDS-9452

Datenbank-Bezeichner

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 72

Physikochemische Eigenschaften

Schmelzpunkt: 124 · 124-126 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Sparingly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
Stabilität: Hygroscopic
Major Application: peptide synthesis
InChI: 1S/C5H11NO2.ClH/c1-6-4-2-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H
InChIKey: JMLHQRQZCMCQNJ-UHFFFAOYSA-N
SMILES: Cl[H].CNCCCC(O)=O
CAS Datenbank: 6976 · 6976-17-6

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29224985
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-(Methylamino)butanoic acid Hydrochloride is the salt form of N-Methyl-4-aminobutyric Acid (M285745) which is a 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.