Cas no 67455-76-9 (3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizine-2-carbonitrile)
![3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizine-2-carbonitrile structure](https://ossimg.kuujia.com/scimg/67500/67455-76-9x500.png)
67455-76-9 structure
Product Name:3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizine-2-carbonitrile
CAS No:67455-76-9
MF:C18H24N2O2
MW:300.395364761353
CID:966048
PubChem ID:320331
Update Time:2025-04-19
3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizine-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizine-2-carbonitrile
- (11bS)-3c-Aethyl-9,10-dimethoxy-(11br)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin-2t-carbonitril
- (11bS)-3c-ethyl-9,10-dimethoxy-(11br)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-2t-carbonitrile
- AC1L81ZT
- NSC267427
- 67455-76-9
- DTXSID00313203
- NSC-267427
- DS-004123
- 2H-benzo[a]quinolizine-2-carbonitrile, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-
-
- Inchi： 1S/C18H24N2O2/c1-4-12-11-20-6-5-13-8-17(21-2)18(22-3)9-15(13)16(20)7-14(12)10-19/h8-9,12,14,16H,4-7,11H2,1-3H3
- InChI Key： PLIJAYXVZSWMJM-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC2CCN3CC(CC)C(C#N)CC3C=2C=1)OC
Computed Properties
- Exact Mass: 300.18392
- Monoisotopic Mass: 300.183778013g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 432
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 45.5?2
Experimental Properties
- PSA: 45.49
- LogP: 3.11058
3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizine-2-carbonitrile Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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