1-Amino-3-methylisoquinoline-4-carbonitrile supplier

Name
1-Amino-3-methylisoquinoline-4-carbonitrile
EINECS
CAS No. 161468-33-3
Article Data5
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 273-274°C
Formula C₁₁H₉N₃
Boiling Point 398.7 °C at 760 mmHg
Molecular Weight 183.21
Flash Point 194.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-AMINO-3-METHYLISOQUINOLINE-4-CARBONITRILE;1-AMino-3-Methyl-4-isoquinolinecarbonitrile
PSA 63.43000
LogP 1.92718

1-Amino-3-methylisoquinoline-4-carbonitrile Specification

The IUPAC name of this chemical is 1-Amino-3-methylisoquinoline-4-carbonitrile. The CAS registry number is 161468-33-3. In addition, the molecular formula is C₁₁H₉N₃ and the molecular weight is 183.21. It is a kind of off-white powder and belongs to the classes of Aromatics Compounds; Aromatics. And it should be stored in a cool and dry place.

Physical properties about 1-Amino-3-methylisoquinoline-4-carbonitrile are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 39.92 Å²; (7)Index of Refraction: 1.672; (8)Molar Refractivity: 54.91 cm³; (9)Molar Volume: 146.5 cm³; (10)Polarizability: 21.77 ×10^-24cm³; (11)Surface Tension: 67.2 dyne/cm; (12)Density: 1.24 g/cm³; (13)Flash Point: 194.9 °C; (14)Enthalpy of Vaporization: 64.93 kJ/mol; (15)Boiling Point: 398.7 °C at 760 mmHg; (16)Vapour Pressure: 1.44E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2c1ccccc1c(nc2C)N
(2)InChI: InChI=1/C11H9N3/c1-7-10(6-12)8-4-2-3-5-9(8)11(13)14-7/h2-5H,1H3,(H2,13,14)
(3)InChIKey: AKNORJGWAWWYIM-UHFFFAOYAO

Product Name

1-Amino-3-methylisoquinoline-4-carbonitrile

1-Amino-3-methylisoquinoline-4-carbonitrile Specification

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