Cas no 3885-19-6 ( )
structure
Product Name:
CAS No:3885-19-6
MF:C21H28N2O
MW:324.459825515747
CID:923986
PubChem ID:457965
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 12-Methoxy-16-methylibogamine
- 3885-19-6
- NSC-274274
- NSC274274
- DTXSID90959634
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- Inchi： 1S/C21H28N2O/c1-4-14-9-13-10-18-20(14)23(12-13)8-7-16-17-11-15(24-3)5-6-19(17)22(2)21(16)18/h5-6,11,13-14,18,20H,4,7-10,12H2,1-3H3
- InChI Key： GZIPIZQXYGKJCX-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC2=C(C=1)C1CCN3CC4CC(CC)C3C(C=1N2C)C4
Computed Properties
- Exact Mass: 324.220163521g/mol
- Monoisotopic Mass: 324.220163521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 483
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 17.4?2
Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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