Basic Information | Post buying leads | Suppliers |
Name |
6H-Pyrrolo[3,4-d]pyrimidine |
EINECS | N/A |
CAS No. | 20438-17-9 | Density | 1.349 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5N3 | Boiling Point | 315.263 °C at 760 mmHg |
Molecular Weight | 119.124 | Flash Point | 158.812 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
EN000788; |
The 6H-Pyrrolo[3,4-d]pyrimidine, with the CAS registry number 20438-17-9, is also known as EN000788. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C6H5N3 and molecular weight is 119.124. Its IUPAC name is called 6H-pyrrolo[3,4-d]pyrimidine.
Physical properties of 6H-Pyrrolo[3,4-d]pyrimidine: (1)ACD/LogP: -0.33; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 16; (5)ACD/KOC (pH 7.4): 16; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)Index of Refraction: 1.715; (9)Molar Refractivity: 34.711 cm3; (10)Molar Volume: 88.319 cm3; (11)Surface Tension: 73.965 dyne/cm; (12)Density: 1.349 g/cm3; (13)Flash Point: 158.812 °C; (14)Enthalpy of Vaporization: 53.432 kJ/mol; (15)Boiling Point: 315.263 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C2C=NC=NC2=CN1
(2)InChI: InChI=1S/C6H5N3/c1-5-2-8-4-9-6(5)3-7-1/h1-4,7H
(3)InChIKey: OWXGCRGZFPLHJN-UHFFFAOYSA-N