1-Methyl-L-4,5-dihydroorotic acid supplier

Name
1-Methyl-L-4,5-dihydroorotic acid
EINECS 600-426-2
CAS No. 103365-69-1
Density 1.449 g/cm³
Solubility
Melting Point 212-214 °C
Formula C₆H₈N₂O₄
Boiling Point
Molecular Weight 172.141
Flash Point
Transport Information
Appearance White powder
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Pyrimidinecarboxylicacid, hexahydro-1-methyl-2,6-dioxo-, (S)-;(4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid;
PSA 86.71000
LogP -0.72200

1-Methyl-L-4,5-dihydroorotic acid Specification

The 1-Methyl-L-4,5-dihydroorotic acid with CAS registry number of 103365-69-1 is also known as 4-Pyrimidinecarboxylicacid, hexahydro-1-methyl-2,6-dioxo-, (S)-. The IUPAC name is (4S)-1-Methyl-2,6-dioxo-1,3-diazinane-4-carboxylic acid. In addition, the formula is C₆H₈N₂O₄ and the molecular weight is 172.14.

Physical properties about 1-Methyl-L-4,5-dihydroorotic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.525; (9)Molar Refractivity: 36.43 cm³; (10)Molar Volume: 118.7 cm³; (11)Surface Tension: 56.5 dyne/cm; (12)Density: 1.449 g/cm³.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CN1C(=O)CC(NC1=O)C(=O)O
2. Isomeric SMILES: CN1C(=O)C[C@H](NC1=O)C(=O)O
3. InChI: InChI=1S/C6H8N2O4/c1-8-4(9)2-3(5(10)11)7-6(8)12/h3H,2H2,1H3,(H,7,12)(H,10,11)/t3-/m0/s1
4. InChIKey: GWHDGNNXTNENIF-VKHMYHEASA-N

Product Name

1-Methyl-L-4,5-dihydroorotic acid

1-Methyl-L-4,5-dihydroorotic acid Specification

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