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| CAS No.: | 914612-23-0 |
|---|---|
| Name: | 6-benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
| Molecular Structure: | |
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| Formula: | C14H14ClN3 |
| Molecular Weight: | 259.738 |
| Synonyms: | Pyrido[4,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-; |
| Density: | 1.273 g/cm3 |
| Boiling Point: | 396.568 °C at 760 mmHg |
| Flash Point: | 193.638 °C |
| PSA: | 29.02000 |
| LogP: | 2.62620 |
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Specification
The 6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine, with the cas number 914612-23-0, is also called Pyrido[4,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-. Its molecular formula is C14H14ClN3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.176; (4)ACD/LogD (pH 7.4): 0.251; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.417; (8)ACD/KOC (pH 7.4): 32.569; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 72.238 cm3; (15)Molar Volume: 204.025 cm3; (16)Polarizability: 28.637×10-24cm3; (17)Surface Tension: 57.166 dyne/cm; (18)Enthalpy of Vaporization: 64.689 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CN2CCc3c(c(ncn3)Cl)C2
(2)InChI: InChI=1/C14H14ClN3/c15-14-12-9-18(7-6-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2
(3)InChIKey: RPJAAZOTUXKSEV-UHFFFAOYAS