Ethanone, 1-(9H-pyrido[3,4-b]indol-1-yl)- supplier

Name
1-Acetyl-carboline
EINECS
CAS No. 50892-83-6
Article Data17
CAS DataBase
Density 1.307 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀N₂O
Boiling Point 438.2 °C at 760 mmHg
Molecular Weight 210.2313
Flash Point 219.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(9H-β-Carbolin-1-yl)ethanone;
PSA 45.75000
LogP 2.91870

Ethanone, 1-(9H-pyrido[3,4-b]indol-1-yl)- Specification

The Ethanone, 1-(9H-pyrido[3,4-b]indol-1-yl)-, with the CAS registry number 50892-83-6, is also known as 1-Acetyl-β-carboline. This chemical's molecular formula is C₁₃H₁₀N₂O and molecular weight is 210.2313. What's more, its systematic name is called 1-(9H-β-Carbolin-1-yl)ethanone.

Physical properties about Ethanone, 1-(9H-pyrido[3,4-b]indol-1-yl)- are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 81.9; (6)ACD/BCF (pH 7.4): 100.91; (7)ACD/KOC (pH 5.5): 767.39; (8)ACD/KOC (pH 7.4): 945.52; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.734 ; (14)Molar Refractivity: 64.49 cm³; (15)Molar Volume: 160.7 cm³; (16)Surface Tension: 63.5 dyne/cm; (17)Density: 1.307 g/cm³; (19)Flash Point: 219.3 °C; (20)Enthalpy of Vaporization: 69.5 kJ/mol; (21)Boiling Point: 438.2 °C at 760 mmHg; (22)Vapour Pressure: 7.03E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c3nccc2c1c(cccc1)nc23)C
(2) InChI: InChI=1/C13H10N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-7,15H,1H3
(3) InChIKey: NXZSUJKPVSDFNF-UHFFFAOYAD

Product Name

1-Acetyl-carboline

Ethanone, 1-(9H-pyrido[3,4-b]indol-1-yl)- Specification

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