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Name |
Pyrido[4,3-d]pyrimidine-6(5H)-carboxylicacid, 7,8-dihydro-, 1,1-dimethylethyl ester |
EINECS | N/A |
CAS No. | 192869-49-1 | Density | 1.171 g/cm3 |
PSA | 55.32000 | LogP | 1.70770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H17N3O2 | Boiling Point | 361.17 °C at 760 mmHg |
Molecular Weight | 235.286 | Flash Point | 172.23 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
tert-butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate; |
Article Data | 3 |
The Pyrido[4, 3-d]pyrimidine-6(5H)-carboxylicacid, 7, 8-dihydro-, 1, 1-dimethylethyl ester has CAS registry number 192869-49-1. This chemical's molecular formula is C12H17N3O2 and molecular weight is 235.285. What's more, its systematic name is tert-Butyl 7, 8-dihydropyrido[4, 3-d]pyrimidine-6(5H)-carboxylate.
Physical properties about Pyrido[4, 3-d]pyrimidine-6(5H)-carboxylicacid, 7, 8-dihydro-, 1, 1-dimethylethyl ester are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 39; (8)ACD/KOC (pH 7.4): 39; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.32 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 62.991 cm3; (15)Molar Volume: 200.954 cm3; (16)Polarizability: 24.972×10-24 cm3; (17)Surface Tension: 49.154 dyne/cm; (18)Density: 1.171 g/cm3; (19)Flash Point: 172.23 °C; (20)Enthalpy of Vaporization: 60.697 kJ/mol; (21)Boiling Point: 361.17 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCc2ncncc2C1
(2) InChI: InChI=1/C12H17N3O2/c1-12(2,3)17-11(16)15-5-4-10-9(7-15)6-13-8-14-10/h6,8H,4-5,7H2,1-3H3
(3) InChIKey: CEMDDESVTHLXHH-UHFFFAOYAO