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CAS No.: | 2164-65-0 |
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Name: | 2-AMINO-PYRIMIDINE-4-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C5H5N3O2 |
Molecular Weight: | 139.114 |
Synonyms: | 2-Aminopyrimidine-4-carboxylicacid;NSC 61555; |
Density: | 1.533g/cm3 |
Melting Point: | 285 °C |
Boiling Point: | 474.6 °C at 760 mmHg |
Flash Point: | 240.8 °C |
Risk Codes: | 20/21/22 |
Safety: | 24/25-36/37 |
PSA: | 89.10000 |
LogP: | 0.33820 |
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The 2-Aminopyrimidine-4-carboxylic acid is an organic compound with the formula C5H5N3O2. The IUPAC name of this chemical is 2-aminopyrimidine-4-carboxylic acid. With the CAS registry number 2164-65-0, it is also named as 4-Pyrimidinecarboxylic acid, 2-amino-. The product's categories are Pyrimidine; Aminoacid; Pharmacetical.
Physical properties about 2-Aminopyrimidine-4-carboxylic acid are: (1)ACD/LogP: -0.54 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 55.32 Å2; (10)Index of Refraction: 1.663; (11)Molar Refractivity: 33.6 cm3; (12)Molar Volume: 90.6 cm3; (13)Polarizability: 13.32×10-24cm3; (14)Surface Tension: 95.5 dyne/cm; (15)Density: 1.533 g/cm3; (16)Flash Point: 240.8 °C; (17)Enthalpy of Vaporization: 77.74 kJ/mol; (18)Boiling Point: 474.6 °C at 760 mmHg; (19)Vapour Pressure: 8.19E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc(ncc1)N
(2)InChI: InChI=1/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)
(3)InChIKey: GKFPFLBDQJVJIH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)
(5)Std. InChIKey: GKFPFLBDQJVJIH-UHFFFAOYSA-N