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6458-06-6

6458-06-6 structure
6458-06-6 structure
  • Name: trimethylalanine
  • Chemical Name: β-alanine betaine
  • CAS Number: 6458-06-6
  • Molecular Formula: C6H13NO2
  • Molecular Weight: 131.17300
  • Create Date: 2018-06-26 11:38:04
  • Modify Date: 2024-01-06 15:18:38

Name β-alanine betaine
Synonyms Trimethylalanine
trimethylammoniopropionate
Propiobetaine
Ammonium,(2-carboxyethyl)trimethyl-,hydroxide,inner salt
(2-Carboxy-aethyl)-trimethyl-ammonium-betain
2-Carboxy-N,N,N-trimethylethanaminium,hydroxide,inner salt
3-Trimethylammonio-propionat
beta-alanine betaine
3-Trimethylammonio-propionsaeure-betain
(2-carboxy-ethyl)-trimethyl-ammonium betaine
Molecular Formula C6H13NO2
Molecular Weight 131.17300
Exact Mass 131.09500
PSA 40.54000
LogP 0.41120

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BP2357000
CHEMICAL NAME :
Ammonium, (2-carboxyethyl)trimethyl-, hydroxide, inner salt
CAS REGISTRY NUMBER :
6458-06-6
BEILSTEIN REFERENCE NO. :
3588285
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H13-N-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9200 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - fluid intake Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
ABMGAJ Acta Biologica et Medica Germanica. (Berlin, Ger. Dem. Rep.) V.1-41, 1958-82. For publisher information, see BBIADT. Volume(issue)/page/year: 3,28,1959
HS Code 2922499990

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6458-06-6

Literature: Gresham et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 3168,3171 Full Text Show Details Goodrich Co. Patent: US2548428 , 1949 ;

~81%

6458-06-6 structure

6458-06-6

Literature: Rahal, Said; Badache, Leila Tetrahedron Letters, 1991 , vol. 32, # 31 p. 3847 - 3848

~88%

6458-06-6 structure

6458-06-6

Literature: Chen, Xiao-Ming; Mak, Thomas C. W. Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1991 , # 12 p. 3253 - 3258

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6458-06-6 structure

6458-06-6

Literature: Naresh Chary; Dinesh Kumar, Ch.; Vairamani; Prabhakar Journal of Mass Spectrometry, 2012 , vol. 47, # 1 p. 79 - 88

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6458-06-6

Literature: Chevalier, Yves; Perchec, Pierre Le Journal of Physical Chemistry, 1990 , vol. 94, p. 1768 - 1774

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6458-06-6 structure

6458-06-6

Literature: Chevalier, Yves; Perchec, Pierre Le Journal of Physical Chemistry, 1990 , vol. 94, p. 1768 - 1774

~%

6458-06-6 structure

6458-06-6

Literature: Willstaetter Chemische Berichte, 1902 , vol. 35, p. 602

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6458-06-6 structure

6458-06-6

Literature: Strack; Hentsch Chemische Berichte, 1951 , vol. 84, p. 125,127

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6458-06-6 structure

6458-06-6

Literature: Goodrich Co. Patent: US2548428 , 1949 ;
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%