Basic Information | Post buying leads | Suppliers |
Name |
6-Amino-5-chloro-4-pyrimidinecarboxylic acid |
EINECS | N/A |
CAS No. | 914916-98-6 | Density | 1.7±0.1 g/cm3 |
PSA | 89.83000 | LogP | 0.34050 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H4ClN3O2 | Boiling Point | 414.6±45.0 °C at 760 mmHg |
Molecular Weight | 173.559 | Flash Point | 204.5±28.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Amino-5-chloropyrimidine-4-carboxylic acid; |
The 6-Amino-5-chloro-4-pyrimidinecarboxylic acid, with the CAS registry number 914916-98-6, is also known as 6-Amino-5-chloropyrimidine-4-carboxylic acid. This chemical's molecular formula is C5H4ClN3O2 and molecular weight is 173.56. What's more, its systematic name is 6-Amino-5-chloro-4-pyrimidinecarboxylic acid.
Physical properties of 6-Amino-5-chloro-4-pyrimidinecarboxylic acid are: (1)ACD/LogP: 1.46±0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.49; (4)ACD/LogD (pH 7.4): -1.69; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 89.1 Å2; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 38.5±0.3 cm3; (15)Molar Volume: 102.6±3.0 cm3; (16)Polarizability: 15.3±0.5×10-24cm3; (17)Surface Tension: 93.8±3.0 dyne/cm; (18)Density: 1.7±0.1 g/cm3; (19)Flash Point: 204.5±28.7 °C; (20)Enthalpy of Vaporization: 70.4±3.0 kJ/mol; (21)Boiling Point: 414.6±45.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1nc(c(c(n1)N)Cl)C(=O)O
(2)Std. InChI: InChI=1S/C5H4ClN3O2/c6-2-3(5(10)11)8-1-9-4(2)7/h1H,(H,10,11)(H2,7,8,9)
(3)Std. InChIKey: XIEDAMQXYCHOHG-UHFFFAOYSA-N