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82925-02-8

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Basic Information
CAS No.: 82925-02-8
Name: 4-[2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)ETHYL]-BENZENAMINE
Article Data: 27
Molecular Structure:
Molecular Structure of 82925-02-8 (4-[2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)ETHYL]-BENZENAMINE)
Formula: C19H24N2O2
Molecular Weight: 312.412
Synonyms: [4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]amine;
Density: 1.132 g/cm3
Melting Point: 129 °C
Boiling Point: 473.704 °C at 760 mmHg
Flash Point: 240.288 °C
PSA: 47.72000
LogP: 3.40590
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Specification

The Benzenamine,4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]-, with the CAS registry number 82925-02-8, is also known as 4-[2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]-benzenamine. This chemical's molecular formula is C19H24N2O2 and molecular weight is 312.41. What's more, its systematic name is called 4-[2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]aniline.

Physical properties about Benzenamine,4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]- are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 117; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 47.72 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 93.401 cm3; (15)Molar Volume: 275.884 cm3; (16)Surface Tension: 45.884 dyne/cm; (17)Density: 1.132 g/cm3; (18)Flash Point: 240.288 °C; (19)Enthalpy of Vaporization: 73.689 kJ/mol; (20)Boiling Point: 473.704 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1c(OC)cc2c(c1)CN(CC2)CCc3ccc(N)cc3)C
(2) InChI: InChI=1/C19H24N2O2/c1-22-18-11-15-8-10-21(13-16(15)12-19(18)23-2)9-7-14-3-5-17(20)6-4-14/h3-6,11-12H,7-10,13,20H2,1-2H3
(3) InChIKey: DGOOLMGPMIHRFY-UHFFFAOYAT