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Name |
2-Pyrimidinecarboxylicacid, 5-amino- |
EINECS | N/A |
CAS No. | 56621-98-8 | Density | 1.533 g/cm3 |
PSA | 89.10000 | LogP | 0.33820 |
Solubility | N/A | Melting Point |
270-274 °C (decomp) |
Formula | C5H5N3O2 | Boiling Point | 484.8 °C at 760 mmHg |
Molecular Weight | 139.114 | Flash Point | 247 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Amino-2-pyrimidinecarboxylicacid; |
Article Data | 2 |
The CAS register number of 2-Pyrimidinecarboxylicacid, 5-amino- is 56621-98-8. The IUPAC name about this chemical is 5-aminopyrimidine-2-carboxylic acid. The molecular formula about this chemical is C5H5N3O2 and the molecular weight is 139.11. It belongs to the following product categories which include Aminoacid; Pyrimidine; Amino Acids and Derivatives; Heterocycles; Pharmacetical and so on.
Physical properties about 2-Pyrimidinecarboxylicacid, 5-amino- 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: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 89.1Å2; (9)Index of Refraction: 1.663; (10)Molar Refractivity: 33.6 cm3; (11)Molar Volume: 90.6 cm3; (12)Polarizability: 13.32x10-24cm3; (13)Surface Tension: 95.5 dyne/cm; (14)Flash Point: 247 °C; (15)Enthalpy of Vaporization: 79.02 kJ/mol; (16)Boiling Point: 484.8 °C at 760 mmHg; (17)Vapour Pressure: 3.26E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cnc(nc1)C(=O)O
(2)InChI: InChI=1/C5H5N3O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2H,6H2,(H,9,10)
(3)InChIKey: GFQGXKOUBNWXJA-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H5N3O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2H,6H2,(H,9,10)
(5)Std. InChIKey: GFQGXKOUBNWXJA-UHFFFAOYSA-N