4-Acetamidobutanoic acid

Modify Date: 2024-01-06 17:16:32

4-Acetamidobutanoic acid Structure
4-Acetamidobutanoic acid structure
Common Name 4-Acetamidobutanoic acid
CAS Number 3025-96-5 Molecular Weight 145.15600
Density 1.133 g/cm3 Boiling Point 405.4ºC at 760 mmHg
Molecular Formula C6H11NO3 Melting Point 128-131 °C
MSDS N/A Flash Point 199ºC

 Use of 4-Acetamidobutanoic acid


4-Acetamidobutanoic acid (N-acetyl GABA) is a γ-aminobutyric acid (GABA) derivative.

 Names

Name 4-acetamidobutanoic acid
Synonym More Synonyms

 4-Acetamidobutanoic acid Biological Activity

Description 4-Acetamidobutanoic acid (N-acetyl GABA) is a γ-aminobutyric acid (GABA) derivative.
Related Catalog
Target

Human Endogenous Metabolite

 Chemical & Physical Properties

Density 1.133 g/cm3
Boiling Point 405.4ºC at 760 mmHg
Melting Point 128-131 °C
Molecular Formula C6H11NO3
Molecular Weight 145.15600
Flash Point 199ºC
Exact Mass 145.07400
PSA 66.40000
LogP 0.37820

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES5610000
CHEMICAL NAME :
Butyric acid, 4-acetamido-
CAS REGISTRY NUMBER :
3025-96-5
BEILSTEIN REFERENCE NO. :
1762288
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H11-N-O3
MOLECULAR WEIGHT :
145.18
WISWESSER LINE NOTATION :
QV3MV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
425 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 145,233,1963 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
105 mg/kg
SEX/DURATION :
male 21 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
ARANDR Archives of Andrology. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1978- Volume(issue)/page/year: 10,239,1983

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S37/39-S26
RTECS ES5610000
HS Code 2924199090

 Synthetic Route

~95%

4-Acetamidobutanoic acid Structure

4-Acetamidobuta...

CAS#:3025-96-5

Literature: UNIVERSITY OF CONNECTICUT; BALUNAS, Marcy J.; PAVLIK, Christopher M.; GERWICK, William H. Patent: WO2014/18913 A2, 2014 ; Location in patent: Page/Page column 45 ;

~45%

4-Acetamidobutanoic acid Structure

4-Acetamidobuta...

CAS#:3025-96-5

Detail
Literature: Canadian Journal of Chemistry, , vol. 79, # 5-6 p. 688 - 692

~%

4-Acetamidobutanoic acid Structure

4-Acetamidobuta...

CAS#:3025-96-5

Literature: Journal of the Indian Chemical Society, , vol. 55, p. 1116 - 1121

~%

4-Acetamidobutanoic acid Structure

4-Acetamidobuta...

CAS#:3025-96-5

Literature: Yakugaku Zasshi, , vol. 78, p. 1133,1137 Chem.Abstr., , p. 5160

 Customs

HS Code 2924199090
Summary 2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

4-acetamidobutyrate
N-Acetyl-4-aminobutyric acid
N-Acetyl-4-aminobutanoic acid
EINECS 221-186-1
N4-Acetylaminobutanoate
BUTYRIC ACID,4-ACETAMIDO
4-Acetamidobutyric acid
MFCD00020552