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| Name |
5,6,7,8-Tetrahydropyridino[4,3-d]pyrimidine hydrochloride |
EINECS | N/A |
| CAS No. | 157327-49-6 | Density | N/A |
| PSA | 37.81000 | LogP | 0.45110 |
| Solubility | N/A | Melting Point |
206-211°C (decomposition) |
| Formula | C7H9N3.HCl | Boiling Point | 307.6 °C at 760 mmHg |
| Molecular Weight | 208.09 | Flash Point | 139.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
Pyrido[4,3-d]pyrimidine,5,6,7,8-tetrahydro-, dihydrochloride (9CI);5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidinedihydrochloride; |
5,6,7,8-Tetrahydropyridino[4,3-d]pyrimidine hydrochloride Specification
The 5,6,7,8-Tetrahydropyridino[4,3-d]pyrimidine hydrochloride with cas registry number of 157327-49-6, belongs to the following product categories: CHIRAL CHEMICALS. It has the systematic name of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine hydrochloride (1:1). And it is also named Pyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-, hydrochloride (1:1).
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (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): 3; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 37.81 Å2; (10)Enthalpy of Vaporization: 55.92 kJ/mol; (11)Vapour Pressure: 0.000531 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.c1ncnc2CCNCc12;
(2)InChI: InChI=1/C7H9N3.ClH/c1-2-8-3-6-4-9-5-10-7(1)6;/h4-5,8H,1-3H2;1H;
(3)InChIKey: NMBJBSQBCVWFMH-UHFFFAOYAX;
(4)Std. InChI: InChI=1S/C7H9N3.ClH/c1-2-8-3-6-4-9-5-10-7(1)6;/h4-5,8H,1-3H2;1H;
(5)Std. InChIKey: NMBJBSQBCVWFMH-UHFFFAOYSA-N
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