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

Name
1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole
EINECS
CAS No. 26585-14-8
Article Data7
CAS DataBase
Density 1.216 g/cm³
Solubility
Melting Point 168 °C
Formula C₁₄H₁₄N₂O
Boiling Point 427.2 °C at 760 mmHg
Molecular Weight 226.278
Flash Point 141.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Crenatine;Crenatin;1-Ethyl-4-methoxy-b-carboline;1-Ethyl-4-methoxy-9H-b-carboline;1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole;
PSA 37.91000
LogP 3.28710

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

The 9H-Pyrido[3,4-b]indole,1-ethyl-4-methoxy-, with the CAS registry number 26585-14-8, is also known as 1-Ethyl-4-methoxy-b-carboline. This chemical's molecular formula is C₁₄H₁₄N₂O and molecular weight is 226.27. What's more, its systematic name is 1-Ethyl-4-methoxy-9H-b-carboline.

Physical properties of 9H-Pyrido[3,4-b]indole,1-ethyl-4-methoxy- are: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 6.05; (6)ACD/BCF (pH 7.4): 208.75; (7)ACD/KOC (pH 5.5): 31.27; (8)ACD/KOC (pH 7.4): 1078.28; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.05 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 70.69 cm³; (15)Molar Volume: 186 cm³; (16)Polarizability: 28.02×10^-24cm³; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.216 g/cm³; (19)Flash Point: 141.4 °C; (20)Enthalpy of Vaporization: 65.58 kJ/mol; (21)Boiling Point: 427.2 °C at 760 mmHg; (22)Vapour Pressure: 4.15E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=NC=C(C2=C1NC3=CC=CC=C32)OC
(2)InChI: InChI=1S/C14H14N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h4-8,16H,3H2,1-2H3
(3)InChIKey: LWWRUTVIAQDHRE-UHFFFAOYSA-N

Product Name

1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole

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

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