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| CAS No.: | 32018-56-7 |
|---|---|
| Name: | 1-BENZYL-4-METHYL-1,2,3,6-TETRAHYDRO-PYRIDINE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C13H17 N |
| Molecular Weight: | 187.285 |
| Synonyms: | 4-Picoline,1-benzyl-1,2,3,6-tetrahydro- (8CI);1-Benzyl-4-methyl-1,2,3,6-tetrahydropyridine; 4-Methyl-1-(phenylmethyl)-1,2,3,6-tetrahydropyridine |
| Density: | 1 |
| Boiling Point: | 270ºC |
| Flash Point: | 107ºC |
| PSA: | 3.24000 |
| LogP: | 2.77650 |
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- Total:31 Page 1 of 1 1
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Specification
The 1-Benzyl-4-methyl-1,2,3,6-tetrahydropyridine with cas registry number of 32018-56-7, has the systematic name of 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine. And its IUPAC name is also 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine. Besides this, it is also named pyridine, 1,2,3,6-tetrahydro-4-methyl-1-(phenylmethyl)-.
Physical properties about this chemical are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.016; (4)ACD/LogD (pH 7.4): 2.718; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 44.075; (7)ACD/KOC (pH 5.5): 6.152; (8)ACD/KOC (pH 7.4): 309.993; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 60.099 cm3; (15)Molar Volume: 187.096 cm3; (16)Polarizability: 23.825×10-24cm3; (17)Surface Tension: 38.091 dyne/cm; (18)Enthalpy of Vaporization: 50.837 kJ/mol; (19)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1=CCN(CC1)Cc2ccccc2;
(2)InChI: InChI=1/C13H17N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-7H,8-11H2,1H3;
(3)InChIKey: MKIZSVUTUWPHMD-UHFFFAOYAT;
(4)Std. InChI: InChI=1S/C13H17N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-7H,8-11H2,1H3;
(5)Std. InChIKey: MKIZSVUTUWPHMD-UHFFFAOYSA-N