4-Acetamidobutanoic acid

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Names

[ CAS No. ]:
3025-96-5

[ Name ]:
4-Acetamidobutanoic acid

[Synonym ]:
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

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

MSDS

Click to get detail MSDS

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethanoic anhydride
  • 4-Aminobutanoic acid
  • Acetamide,N-2-propen-1-yl-
  • carbon monoxide
  • 1-Acetyl-piperidin-3-one
  • S-Phenyl ethanethioate

DownStream

  • 2-Methyl-1-Pyrroline
  • (2S)-4-Amino-2-hydroxybutanoic acid

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%

Related Compounds

  • 2-Acetamidobutanoic acid-d3
  • 4-octanoyloxybenzenesulfonic acid
  • 4-methylbenzenesulfonic acid,3-thiophen-2-ylpropan-1-ol
  • 4-Tolylboronic acid
  • 4-methylbenzenesulfonic acid,(3-phenoxyphenyl)methanol
  • 4-methylbenzenesulfonic acid,2-methylmorpholine