-
Name
(r)-Aminocarnitine
- EINECS
- CAS No. 98063-21-9
- Article Data10
- CAS DataBase
- Density
- Solubility
- Melting Point 150°C
- Formula C7H16N2O2
- Boiling Point
- Molecular Weight 160.216
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Propanaminium,2-amino-3-carboxy-N,N,N-trimethyl-, inner salt, (R)-;(R)-3-Amino-4-(trimethylammonio)butyrate;Emeriamine;
- PSA 86.38000
- LogP -2.16900
(R)-Aminocarnitine Specification
This chemical is called (R)-Aminocarnitine, and its IUPAC name is (3R)-3-amino-4-(trimethylazaniumyl)butanoate. With the molecular formula of C7H16N2O2, its molecular weight is 160.21. The CAS registry number of this chemical is 98063-21-9, and its product categories are Chemical Amines; Amines; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. In addition, This chemical is off-white amorphous solid, and its classification codes are Enzyme inhibitors; Hypoglycemic agents.
Other characteristics of the (R)-Aminocarnitine can be summarised as followings: (1)ACD/LogP: -4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.59; (4)ACD/LogD (pH 7.4): -3.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.54 Å2.
uses of this chemical: This chemical is used as an inhibitor of fatty acid oxidation. It acts as a hypoglycemic and antiketogenic compound. In addition, it alters lipidic metabolism by inhibiting carnitine acetyltransferase (CAT) and carnitine palmitoyltransferase (CPT).
You can still convert the following datas into molecular structure:
1.SMILES: [O-]C(=O)C[C@@H](N)C[N+](C)(C)C
2.InChI: InChI=1/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1
3.InChIKey: DAWBGYHPBBDHMQ-ZCFIWIBFBM
4.Std. InChI: InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1
5.Std. InChIKey: DAWBGYHPBBDHMQ-ZCFIWIBFSA-N
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