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Name |
Pyrido[4,3-d]pyrimidine,5,6,7,8-tetrahydro- |
EINECS | N/A |
CAS No. | 192869-50-4 | Density | 1.138 g/cm3 |
PSA | 37.81000 | LogP | 0.45110 |
Solubility | N/A | Melting Point |
186-187 °C(Solv: ethyl acetate (141-78-6)) |
Formula | C7H9N3 | Boiling Point | 277.051 °C at 760 mmHg |
Molecular Weight | 135.16646 | Flash Point | 121.356 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine; |
The Pyrido[4,3-d]pyrimidine,5,6,7,8-tetrahydro-, with the CAS registry number 192869-50-4, is also known as 3,5,9-Triazabicyclo[4.4.0]deca-1,3,5-triene. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C7H9N3 and molecular weight is 135.16646. Its IUPAC name is called 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
Physical properties of Pyrido[4,3-d]pyrimidine,5,6,7,8-tetrahydro-: (1)ACD/LogP: -1.06; (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): 4; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)Index of Refraction: 1.552; (9)Molar Refractivity: 37.958 cm3; (10)Molar Volume: 118.743 cm3; (11)Surface Tension: 49.275 dyne/cm; (12)Density: 1.138 g/cm3; (13)Flash Point: 121.356 °C; (14)Enthalpy of Vaporization: 51.559 kJ/mol; (15)Boiling Point: 277.051 °C at 760 mmHg; (16)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCC2=CN=CN=C21
(2)InChI: InChI=1S/C7H9N3/c1-2-8-3-6-4-9-5-10-7(1)6/h4-5,8H,1-3H2
(3)InChIKey: STXKJIIHKFGUCY-UHFFFAOYSA-N