Cas no 31965-08-9 (5H-Pyrido[3,4-b]indole,8,9-dihydro-6-methoxy-1,9-dimethyl-)
31965-08-9 structure
Product Name:5H-Pyrido[3,4-b]indole,8,9-dihydro-6-methoxy-1,9-dimethyl-
CAS No:31965-08-9
MF:C14H16N2O
MW:228.289643287659
CID:314115
PubChem ID:208299
Update Time:2025-04-19
5H-Pyrido[3,4-b]indole,8,9-dihydro-6-methoxy-1,9-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 5H-Pyrido[3,4-b]indole,8,9-dihydro-6-methoxy-1,9-dimethyl-
- 6-methoxy-1,9-dimethyl-5,8-dihydropyrido[3,4-b]indole
- DTXSID90185794
- BRN 0659716
- 31965-08-9
- 5H-Pyrido(3,4-b)indole, 8,9-dihydro-1,9-dimethyl-6-methoxy-
- 5,8-Dihydro-6-methoxy-9-methylharman
- 5-23-12-00149 (Beilstein Handbook Reference)
- 8,9-Dihydro-1,9-dimethyl-6-methoxy-5H-pyrido(3,4-b)indole
-
- Inchi: 1S/C14H16N2O/c1-9-14-11(6-7-15-9)12-8-10(17-3)4-5-13(12)16(14)2/h4,6-7H,5,8H2,1-3H3
- InChI Key: CPANUUSZWDRNHZ-UHFFFAOYSA-N
- SMILES: O(C)C1=CCC2=C(C1)C1C=CN=C(C)C=1N2C
Computed Properties
- Exact Mass: 228.12638
- Monoisotopic Mass: 228.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 328
- 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: 2.1
- Topological Polar Surface Area: 27?2
Experimental Properties
- PSA: 27.05
5H-Pyrido[3,4-b]indole,8,9-dihydro-6-methoxy-1,9-dimethyl- Related Literature
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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