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Isoquinoline, 3,4-dihydro-6-methoxy-7-(phenylmethoxy)-

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Name

Isoquinoline, 3,4-dihydro-6-methoxy-7-(phenylmethoxy)-

EINECS
CAS No. 15357-92-3 Density 1.12 g/cm3
Solubility Melting Point
Formula C17H17NO2 Boiling Point 432.9 °C at 760 mmHg
Molecular Weight 267.32 Flash Point 173.6 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 15357-92-3 (Isoquinoline, 3,4-dihydro-6-methoxy-7-(phenylmethoxy)-) Hazard Symbols
Synonyms

7-Benzyloxy-6-methoxy-3,4-dihydroisoquinoline;Isoquinoline, 7-(benzyloxy)-3,4-dihydro-6-methoxy- (8CI);6-Methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline;7-Benzyloxy-6-methoxy-3,4-dihydro-isoquinoline;

 

Isoquinoline, 3,4-dihydro-6-methoxy-7-(phenylmethoxy)- Specification

The Isoquinoline, 3,4-dihydro-6-methoxy-7-(phenylmethoxy)-, with the CAS registry number 15357-92-3, is also known as 7-Benzyloxy-6-methoxy-3,4-dihydro-isoquinoline. This chemical's molecular formula is C17H17NO2 and molecular weight is 267.32. What's more, its systematic name is 7-(Benzyloxy)-6-methoxy-3,4-dihydroisoquinoline.

Physical properties of Isoquinoline, 3,4-dihydro-6-methoxy-7-(phenylmethoxy)- are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 70.63; (6)ACD/BCF (pH 7.4): 179.59; (7)ACD/KOC (pH 5.5): 559; (8)ACD/KOC (pH 7.4): 1421.47; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 30.82 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 78.89 cm3; (15)Molar Volume: 237.5 cm3; (16)Polarizability: 31.27×10-24 cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 173.6 °C; (20)Enthalpy of Vaporization: 66.21 kJ/mol; (21)Boiling Point: 432.9 °C at 760 mmHg; (22)Vapour Pressure: 2.71E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C2C=NCCC2=C1)OCC3=CC=CC=C3
(2)InChI: InChI=1S/C17H17NO2/c1-19-16-9-14-7-8-18-11-15(14)10-17(16)20-12-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3
(3)InChIKey: KPCZWMYFJQPPSN-UHFFFAOYSA-N

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