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215794-24-4

Basic Information
CAS No.: 215794-24-4
Name: 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-5-CARBONITRILE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 215794-24-4 (1,2,3,4-TETRAHYDRO-ISOQUINOLINE-5-CARBONITRILE HYDROCHLORIDE)
Formula: C10H10N2
Molecular Weight: 194.66
Synonyms: 5-Cyano-1,2,3,4-tetrahydroisoquinoline;
Density: 1.14 g/cm3
Boiling Point: 317.3 °C at 760 mmHg
Flash Point: 145.7 °C
PSA: 35.82000
LogP: 1.53278
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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

  • Debye Scientific

     China (Mainland)  |  Contact Details

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  • 1,2,3,4-tetrahydroisoquinoline-5-carbonitrile

  • Casno:

    215794-24-4

    1,2,3,4-tetrahydroisoquinoline-5-carbonitrile

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    FOB Price:  USD $ 0.0-0.0

    high purity Application:Drug intermediates Materials intermediates and active molecules

    Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has

  • NovaChemistry

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    Address:Unit11, Ark Business Centre, Gorden Road, Loughborough, United Kingdom

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Specification

The 1,2,3,4-Tetrahydroisoquinoline-5-carbonitrile, with CAS registry number 215794-24-4, has the systematic name of 1,2,3,4-tetrahydroisoquinoline-5-carbonitrile. Besides this, it is also called 5-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-. And the chemical formula of this chemical is C10H10N2.

Physical properties of 1,2,3,4-Tetrahydroisoquinoline-5-carbonitrile: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4.53; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 27.03 Å2; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 46.81 cm3; (13)Molar Volume: 137.7 cm3; (14)Polarizability: 18.55×10-24cm3; (15)Surface Tension: 51.1 dyne/cm; (16)Enthalpy of Vaporization: 55.87 kJ/mol; (17)Vapour Pressure: 0.000388 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc2c1CCNC2
(2)InChI: InChI=1/C10H10N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-3,12H,4-5,7H2
(3)InChIKey: BTLCQUCMNTUJNV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H10N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-3,12H,4-5,7H2
(5)Std. InChIKey: BTLCQUCMNTUJNV-UHFFFAOYSA-N