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CAS No.: | 17671-50-0 |
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Name: | Betaine citrate |
Molecular Structure: | |
Formula: | C6H7O7.C5H12NO2 |
Molecular Weight: | 309.27 |
Synonyms: | (Carboxymethyl)trimethylammonium dihydrogen citrate;3-carboxy-3,5-dihydroxy-5-oxo-pentanoate; carboxymethyl-trimethyl-azanium;Methanaminium, 1-carboxy-N,N,N-trimethyl-, salt with 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1); |
EINECS: | 241-648-6 |
Appearance: | White crystalline powder |
PSA: | 172.26000 |
LogP: | -2.80600 |
Molecular Formula: C11H19NO9
Molar mass: 309.26986 g/mol
EINECS: 241-648-6
Product categories of Betaine citrate (17671-50-0): Heterocyclic Compounds
Structure of Betaine citrate (17671-50-0):
H-Bond Donor: 4
H-Bond Acceptor: 9
IUPAC Name: 3-Carboxy-3,5-dihydroxy-5-oxopentanoate; carboxymethyl(trimethyl)azanium
Canonical SMILES: C[N+](C)(C)CC(=O)O.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O
InChI: InChI=1S/C6H8O7.C5H11NO2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,
3)4-5(7)8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H2,1-3H3
InChIKey: YKXUOESQDCXGIW-UHFFFAOYSA-N
Betaine citrate (17671-50-0) also can be called Methanaminium, 1-carboxy-N,N,N-trimethyl-, salt with 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1) ,and (Carboxymethyl)trimethylammonium dihydrogen citrate .