Cas no 63885-67-6 (9H-Pyrido[3,4-b]indole,1-methyl-7-(nonyloxy)-)
![9H-Pyrido[3,4-b]indole,1-methyl-7-(nonyloxy)- structure](https://ossimg.kuujia.com/scimg/64000/63885-67-6x500.png)
63885-67-6 structure
Product Name:9H-Pyrido[3,4-b]indole,1-methyl-7-(nonyloxy)-
CAS No:63885-67-6
MF:C21H28N2O
MW:324.459825515747
CID:523700
PubChem ID:5745843
Update Time:2025-04-19
9H-Pyrido[3,4-b]indole,1-methyl-7-(nonyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Pyrido[3,4-b]indole,1-methyl-7-(nonyloxy)-
- 1-methyl-7-nonoxy-9H-pyrido[3,4-b]indole
- 1-Methyl-7-nonyloxy-9H-pyrido[3,4-b]indole
-
- Inchi： 1S/C21H28N2O/c1-3-4-5-6-7-8-9-14-24-17-10-11-18-19-12-13-22-16(2)21(19)23-20(18)15-17/h10-13,15,23H,3-9,14H2,1-2H3
- InChI Key： ROIXAYSEECCGQJ-UHFFFAOYSA-N
- SMILES： O(C1C=CC2C3C=CN=C(C)C=3NC=2C=1)CCCCCCCCC
Computed Properties
- Exact Mass: 324.22034
- Monoisotopic Mass: 324.220164
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 362
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.5
- Topological Polar Surface Area: 37.9
Experimental Properties
- Density: 1.076
- Boiling Point: 499.3°Cat760mmHg
- Flash Point: 161.6°C
- Refractive Index: 1.599
- PSA: 37.91
9H-Pyrido[3,4-b]indole,1-methyl-7-(nonyloxy)- Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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