Cas no 54155-69-0 ( )
structure
Product Name:
CAS No:54155-69-0
MF:C19H33NO
MW:291.471425771713
CID:939925
PubChem ID:311808
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 6,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-ol
- 54155-69-0
- DTXSID70309850
- NSC217373
- NSC-217373
-
-
- Inchi： 1S/C19H33NO/c1-18-10-4-12-20(3)16(18)7-5-13-14-6-8-17(21)19(14,2)11-9-15(13)18/h13-17,21H,4-12H2,1-3H3
- InChI Key： IUJYBMSTSUVVQM-UHFFFAOYSA-N
- SMILES： OC1CCC2C1(C)CCC1C3(C)CCCN(C)C3CCC12
Computed Properties
- Exact Mass: 291.25639
- Monoisotopic Mass: 291.256214676g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 424
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- PSA: 23.47
Related Literature
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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