-
Name
Betaine citrate
- EINECS 241-648-6
- CAS No. 17671-50-0
- Density
- Solubility
- Melting Point
- Formula C6H7O7.C5H12NO2
- Boiling Point
- Molecular Weight 309.27
- Flash Point
- Transport Information
- Appearance White crystalline powder
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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);
- PSA 172.26000
- LogP -2.80600
Betaine citrate Chemical Properties
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 Specification
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 .
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