Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Aminopyrimidine-5-carboxaldehyde |
EINECS | N/A |
CAS No. | 16357-83-8 | Density | 1.37g/cm3 |
PSA | 68.87000 | LogP | 0.45250 |
Solubility | Slightly soluble in water. | Melting Point |
192-200℃ |
Formula | C5H5N3O | Boiling Point | 330 °C at 760 mmHg |
Molecular Weight | 123.114 | Flash Point | 153.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 22-43 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
4-Amino-5-pyrimidinecarboxaldehyde; |
Article Data | 8 |
The 5-Pyrimidinecarboxaldehyde,4-amino-, with CAS registry number 16357-83-8, belongs to the following product category: Pyrimidine. It has the systematic name of 4-aminopyrimidine-5-carbaldehyde. And the chemical formula of this chemical is C5H5N3O.
Physical properties of 5-Pyrimidinecarboxaldehyde,4-amino-: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.43; (8)ACD/KOC (pH 7.4): 27.73; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.09 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 33.42 cm3; (15)Molar Volume: 89.8 cm3; (16)Polarizability: 13.25×10-24cm3; (17)Surface Tension: 77.4 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 153.4 °C; (20)Enthalpy of Vaporization: 57.25 kJ/mol; (21)Boiling Point: 330 °C at 760 mmHg; (22)Vapour Pressure: 0.000172 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(ncnc1)N
(2)InChI: InChI=1/C5H5N3O/c6-5-4(2-9)1-7-3-8-5/h1-3H,(H2,6,7,8)
(3)InChIKey: PDZKNPQAPGGAFJ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H5N3O/c6-5-4(2-9)1-7-3-8-5/h1-3H,(H2,6,7,8)
(5)Std. InChIKey: PDZKNPQAPGGAFJ-UHFFFAOYSA-N