9H-Pyrido[3,4-b]indole,1-ethenyl-4-methoxy- supplier

Name
1-Vinyl-4-methoxy-β-carboline
EINECS
CAS No. 26585-13-7
Article Data2
CAS DataBase
Density 1.251 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂N₂O
Boiling Point 461.2 °C at 760 mmHg
Molecular Weight 224.262
Flash Point 151.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9H-Pyrido[3,4-b]indole,4-methoxy-1-vinyl- (8CI);4-Methoxy-1-vinyl-b-carboline;Dehydrocrenatine;1-Ethenyl-4-methoxy-9H-b-carboline;1-Vinyl-4-methoxy-b-carboline;
PSA 37.91000
LogP 3.36770

9H-Pyrido[3,4-b]indole,1-ethenyl-4-methoxy- Specification

The 9H-Pyrido[3,4-b]indole,1-ethenyl-4-methoxy-, with the CAS registry number 26585-13-7, is also known as 1-Vinyl-4-methoxy-b-carboline. This chemical's molecular formula is C₁₄H₁₂N₂O and molecular weight is 224.26. What's more, its systematic name is 1-Ethenyl-4-methoxy-9H-b-carboline.

Physical properties of 9H-Pyrido[3,4-b]indole,1-ethenyl-4-methoxy- are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 27.05 Å²; (7)Index of Refraction: 1.737; (8)Molar Refractivity: 72.06 cm³; (9)Molar Volume: 179.1 cm³; (10)Polarizability: 28.56×10^-24cm³; (11)Surface Tension: 56.1 dyne/cm; (12)Density: 1.251 g/cm³; (13)Flash Point: 151.1 °C; (14)Enthalpy of Vaporization: 69.44 kJ/mol; (15)Boiling Point: 461.2 °C at 760 mmHg; (16)Vapour Pressure: 3E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CN=C(C2=C1C3=CC=CC=C3N2)C=C
(2)InChI: InChI=1S/C14H12N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h3-8,16H,1H2,2H3
(3)InChIKey: HJVIUZHNRJYUTG-UHFFFAOYSA-N

Product Name

1-Vinyl-4-methoxy-β-carboline

9H-Pyrido[3,4-b]indole,1-ethenyl-4-methoxy- Specification

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