9H-Pyrido[3,4-b]indole, 1-ethenyl-4,8-dimethoxy- supplier

Name
Dehydrocrenatidine
EINECS
CAS No. 65236-62-6
Article Data3
CAS DataBase
Density 1.251 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₄N₂O₂
Boiling Point 491.8 °C at 760 mmHg
Molecular Weight 254.28
Flash Point 174.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Ethenyl-4,8-dimethoxy-9H-β-carboline;4,8-Dimethoxy-1-vinyl-9H-β-carboline;
PSA 47.14000
LogP 3.37630

9H-Pyrido[3,4-b]indole, 1-ethenyl-4,8-dimethoxy- Specification

The 9H-Pyrido[3,4-b]indole, 1-ethenyl-4,8-dimethoxy-, with the CAS registry number 65236-62-6, is also known as 4,8-Dimethoxy-1-vinyl-9H-β-carboline. This chemical's molecular formula is C₁₅H₁₄N₂O₂ and molecular weight is 254.28. What's more, its systematic name is 1-Ethenyl-4,8-dimethoxy-9H-β-carboline.

Physical properties of 9H-Pyrido[3,4-b]indole, 1-ethenyl-4,8-dimethoxy- are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 3.61; (5)ACD/BCF (pH 5.5): 20.75; (6)ACD/BCF (pH 7.4): 311.99; (7)ACD/KOC (pH 5.5): 132.98; (8)ACD/KOC (pH 7.4): 1999.72; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.28 Å²; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 78.74 cm³; (15)Molar Volume: 203.1 cm³; (16)Polarizability: 31.21×10^-24 cm³; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.251 g/cm³; (19)Flash Point: 174.9 °C; (20)Enthalpy of Vaporization: 72.97 kJ/mol; (21)Boiling Point: 491.8 °C at 760 mmHg; (22)Vapour Pressure: 2.46E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n3cc(OC)c2c1c(c(OC)ccc1)nc2c3\C=C
(2)InChI: InChI=1/C15H14N2O2/c1-4-10-15-13(12(19-3)8-16-10)9-6-5-7-11(18-2)14(9)17-15/h4-8,17H,1H2,2-3H3
(3)InChIKey: LDWBTKDUAXOZRB-UHFFFAOYAG

Product Name

Dehydrocrenatidine

9H-Pyrido[3,4-b]indole, 1-ethenyl-4,8-dimethoxy- Specification

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