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3382-18-1

Basic Information
CAS No.: 3382-18-1
Name: Isoquinoline,3,4-dihydro-6,7-dimethoxy-
Molecular Structure:
Molecular Structure of 3382-18-1 (Isoquinoline,3,4-dihydro-6,7-dimethoxy-)
Formula: C11H13NO2
Molecular Weight: 191.23
Synonyms: 3,4-Dihydro-6,7-dimethoxyisoquinoline;3,4-Dihydrobackebergine;Dehydroheliamine;NSC 627588;
EINECS: 222-185-9
Density: 1.134 g/cm3
Melting Point: 39-40℃
Boiling Point: 322.861 °C at 760 mmHg
Flash Point: 121.99 °C
Solubility:
Appearance: yellow oily liquid
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 30.82000
LogP: 1.11440
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  • 6,7-Dimethoxy-3,4-dihydroisoquinoline

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    3382-18-1

    6,7-Dimethoxy-3,4-dihydroisoquinoline

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    please contact us to confirm the required quantity and quote, we will provide you with COA,NMR,HPLC and other relevant informationAppearance:Yellow oily liquid or crystalline Storage:Store in a cool place. Keep container tightly closed in a dry and w

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  • 6,7-Dimethoxy-3,4-dihydroisoquinoline

  • Casno:

    3382-18-1

    6,7-Dimethoxy-3,4-dihydroisoquinoline

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  • 6,7-Dimethoxy-3,4-dihydroisoquinoline

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    3382-18-1

    6,7-Dimethoxy-3,4-dihydroisoquinoline

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  • Isoquinoline,3,4-dihydro-6,7-dimethoxy-

  • Casno:

    3382-18-1

    Isoquinoline,3,4-dihydro-6,7-dimethoxy-

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  • 6,7-DiMethoxy-3,4-dihydroisoquinoline

  • Casno:

    3382-18-1

    6,7-DiMethoxy-3,4-dihydroisoquinoline

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Specification

The Isoquinoline,3,4-dihydro-6,7-dimethoxy-, with the CAS registry number 3382-18-1, is also known as 3,4-Dihydrobackebergine. It belongs to the product categories of Drug Intermediates. Its EINECS registry number is 222-185-9. This chemical's molecular formula is C11H13NO2 and molecular weight is 191.2264. What's more, its systematic name and its IUPAC name are the same which is called 6,7-Dimethoxy-3,4-dihydroisoquinoline. It is yellow oily liquid.

Physical properties about Isoquinoline,3,4-dihydro-6,7-dimethoxy- are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 3.54; (6)ACD/BCF (pH 7.4): 9.88; (7)ACD/KOC (pH 5.5): 63.77; (8)ACD/KOC (pH 7.4): 178.13; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.82 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 53.6 cm3; (15)Molar Volume: 168.5 cm3; (16)Surface Tension: 35.8 dyne/cm; (17)Density: 1.13 g/cm3; (18)Flash Point: 122 °C; (19)Enthalpy of Vaporization: 54.23 kJ/mol; (20)Boiling Point: 322.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000513 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c2c(OC)cc1c(\C=N/CC1)c2)C
(2) InChI: InChI=1/C11H13NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-7H,3-4H2,1-2H3
(3) InChIKey: NSLJVQUDZCZJLK-UHFFFAOYAM