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Name |
Betaine, tartrate |
EINECS | 241-649-1 |
CAS No. | 17671-52-2 | Density | N/A |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H17NO8 | Boiling Point | 399.3°C at 760 mmHg |
Molecular Weight | 267.23318 | Flash Point | 209.4°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Betaine tartrate;carboxymethyl-trimethyl-azanium; (2S,3S)-2,3,4-trihydroxy-4-oxo-butanoate; |
The Betaine, tartrate is an organic compound with the formula . With the CAS registry number 17671-52-2, the IUPAC name of this chemical is carboxymethyl(trimethyl)azanium; (2S,3S)-2,3,4-trihydroxy-.
Physical properties about Betaine, tartrate are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 9; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 160.85 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])C(O)C(O)C([O-])=O.C[N+](C)(C)CC([O-])=O
(2)InChI: InChI=1/C5H11NO2.C4H6O6/c1-6(2,3)4-5(7)8;5-1(3(7)8)2(6)4(9)10/h4H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/p-2
(3)InChIKey: LKAOQCIAIYQGFG-NUQVWONBAJ
(4)Std. InChI: InChI=1S/C5H11NO2.C4H6O6/c1-6(2,3)4-5(7)8;5-1(3(7)8)2(6)4(9)10/h4H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/p-2
(5)Std. InChIKey: LKAOQCIAIYQGFG-UHFFFAOYSA-L