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5H-Pyrrolo[3,4-b]pyridine,6,7-dihydro-6-(phenylmethyl)- (109966-30-5)

Identification
Name:5H-Pyrrolo[3,4-b]pyridine,6,7-dihydro-6-(phenylmethyl)-
Synonyms:5H-Pyrrolo[3,4-b]pyridine,6-benzyl-6,7-dihydro- (6CI);
CAS:109966-30-5
Molecular Formula: C14H14N2
Molecular Weight: 210.27
InChI: InChI=1/C14H14N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-8H,9-11H2
Molecular Structure: (C14H14N2) 5H-Pyrrolo[3,4-b]pyridine,6-benzyl-6,7-dihydro- (6CI);
Properties
Density:1.16g/cm3
Refractive index:1.632
Specification:

The 6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine is an organic compound with the formula C14H14N2. The systematic name of this chemical is 6-benzyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine. With the CAS registry number 109966-30-5, it is also named as 5H-Pyrrolo[3,4-b]pyridine, 6,7-dihydro-6-(phenylmethyl)-. The product's category is Pharmacetical.

Physical properties about 6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine are: (1)ACD/LogP: 1.38; (2)ACD/LogD (pH 5.5): 0.57; (3)ACD/LogD (pH 7.4): 1.35; (4)ACD/BCF (pH 5.5): 1.03; (5)ACD/BCF (pH 7.4): 6.14; (6)ACD/KOC (pH 5.5): 20.96; (7)ACD/KOC (pH 7.4): 125.16; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 16.13Å2; (11)Index of Refraction: 1.632; (12)Molar Refractivity: 64.63 cm3; (13)Molar Volume: 181.1 cm3; (14)Polarizability: 25.62×10-24cm3; (15)Surface Tension: 52.8 dyne/cm; (16)Density: 1.16 g/cm3; (17)Flash Point: 143.2 °C; (18)Enthalpy of Vaporization: 55.41 kJ/mol; (19)Boiling Point: 313.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000507 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccc2c1CN(C2)Cc3ccccc3
(2)InChI: InChI=1/C14H14N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-8H,9-11H2
(3)InChIKey: DNVMWHGYSCHZGW-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C14H14N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-8H,9-11H2
(5)Std. InChIKey: DNVMWHGYSCHZGW-UHFFFAOYSA-N

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