Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Benzyl-4-methyl-1,2,3,6-tetrahydropyridine |
EINECS | N/A |
CAS No. | 32018-56-7 | Density | 1 |
PSA | 3.24000 | LogP | 2.77650 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H17 N | Boiling Point | 270ºC |
Molecular Weight | 187.285 | Flash Point | 107ºC |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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 |
Article Data | 16 |
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