H-GABA-Ome.HCl

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Names

[ CAS No. ]:
13031-60-2

[ Name ]:
H-GABA-Ome.HCl

[Synonym ]:
4-Methoxy-4-oxo-1-butanaminium chloride
methyl 4-aminobutanoate,hydrochloride
Methyl 4-Aminobutyrate Hydrochloride
Butanoic acid, 4-amino-, methyl ester, hydrochloride (1:1)
MFCD00043270
Methyl 4-aminobutanoate hydrochloride
H-GABA-Ome.HCl

Chemical & Physical Properties

[ Density]:
0.99g/cm3

[ Boiling Point ]:
164.8ºC at 760mmHg

[ Melting Point ]:
120-125ºC

[ Molecular Formula ]:
C5H12ClNO2

[ Molecular Weight ]:
153.61

[ Flash Point ]:
38.7ºC

[ Exact Mass ]:
153.055649

[ PSA ]:
52.32000

[ LogP ]:
1.40060

[ Vapour Pressure ]:
1.93mmHg at 25°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES7065000
CHEMICAL NAME :
Butyric acid, 4-amino-, methyl ester, hydrochloride
CAS REGISTRY NUMBER :
13031-60-2
LAST UPDATED :
198806
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H11-N-O2.Cl-H
MOLECULAR WEIGHT :
153.63

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
950 mg/kg
TOXIC EFFECTS :
Behavioral - anticonvulsant Behavioral - somnolence (general depressed activity)
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 32,1093,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1300 mg/kg
TOXIC EFFECTS :
Behavioral - anticonvulsant Behavioral - somnolence (general depressed activity)
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 32,1093,1983

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-36/37

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
ES7065000

[ HS Code ]:
2922499990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-[[(1,1-dimethylethoxy)carbonyl]amino]Butanoic acid methyl ester
  • Methanol
  • 4-Aminobutanoic acid
  • methyl 4-nitrobutyrate
  • 4-aminobutyric acid hydrochloride

DownStream

  • 1-Benzyl-3-pyrrolidinone
  • Triethylammonium chloride
  • methyl 4-(phenylmethoxycarbonylamino)butanoate
  • methyl 4-(2-oxohexadecanoylamino)butanoate
  • 4-[1-(4-phenylphenyl)pentylamino]butanoic acid
  • Methyl 4-isothiocyanatobutanoate
  • 4-ISOCYANOBUTYRIC ACID METHYL ESTER

Customs

[ HS Code ]: 2922499990

[ Summary ]:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

Articles

Tandem ring-opening decarboxylation of cyclopropane hemimalonates with sodium azide: a short route to γ-aminobutyric acid esters.

J. Org. Chem. 77(15) , 6634-7, (2012)

Cyclopropane hemimalonates, when treated with sodium azide, undergo a tandem ring-opening decarboxylation to produce γ-azidobutyric acids in good yields. These adducts were hydrogenated to form γ-amin...

[Effect of gamma-aminobutyric acid analogs on the brain GABA-ergic system participating in cardiovascular regulation].

Farmakol. Toksikol. 49(6) , 31-4, (1986)

In pentobarbital-anesthetized cats GABA methylester (MEG) and beta-phenyl-GABA methylester (MEF) administered intravenously in doses of 1/100, 1/30, 1/10 of LD50 and injected intracerebroventricularly...

4-aminobutyric acid methyl ester hydrochloride, a precursor of 4-aminobutyric acid.

Biochem. Pharmacol. 32(6) , 1093-6, (1983)

4-Aminobutyric methyl ester hydrochloride (GME) is able to cross the blood-brain barrier after intracardiac administration to the rat. GME has an LD50 of 1300 mg/kg in mice and 950 mg/kg in rats, exhi...


More Articles

Related Compounds

  • H-GABA-OBzl.TosOH
  • 4-aminobutyric acid
  • Butanoic acid, 4-amino-, 1,1-dimethylethyl ester
  • tert-Butyl 4-aminobutanoate hydrochloride
  • H-Aib-OMe.HCl
  • H-Thr-OMe.HCl
  • 4-(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)butan-1-amine
  • 5-(Pyrimidin-2-ylthio)pentan-1-amine
  • 4-(Pyridin-2-ylthio)butan-1-amine
  • rel-((1R,2R)-2-(((tert-Butyldimethylsilyl)oxy)methyl)-1-fluoro-2-methylcyclopropyl)methanol
  • N-methyl-3-(furan-2-yl)propanamide
  • N-([1,1a(2)-Biphenyl]-4-ylmethyl)-3-pyridinamine
  • 3,6,6-Trimethyl-6,7-dihydrobenzofuran-4(5H)-one
  • 3-Amino-2-methyl-N,N-dipropylbenzamide
  • 2-(2-Methyl-8-quinolinyl)-1,3(2H,4H)-isoquinolinedione
  • (4S,7S)-4,7-Diethyl-1,3,2-dioxathiepane 2,2-dioxide
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