Cas no 1017294-60-8 (Tetrahydrocytisine)
Tetrahydrocytisine structure
Product Name:Tetrahydrocytisine
CAS No:1017294-60-8
MF:C11H18N2O
MW:194.273422718048
CID:6766707
PubChem ID:519524
Update Time:2024-03-03
Tetrahydrocytisine Chemical and Physical Properties
Names and Identifiers
-
- decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
- AKOS030211394
- KWVYCGMBGRYVQH-UHFFFAOYSA-N
- Cytisine, tetrahydro-
- 18161-94-9
- VS-13450
- 7,11-diazatricyclo[7.3.1.0(2),?]tridecan-6-one
- Tetrahydrocytisine
- 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-
- 1,2,3,4,5,6,9,10,11,11a-Decahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
- 1017294-60-8
- 7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
-
- Inchi： 1S/C11H18N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h8-10,12H,1-7H2
- InChI Key： KWVYCGMBGRYVQH-UHFFFAOYSA-N
- SMILES： O=C1CCCC2C3CNCC(CN21)C3
Computed Properties
- Exact Mass: 194.141913202g/mol
- Monoisotopic Mass: 194.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 254
- 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: 0.2
- Topological Polar Surface Area: 32.3?2
Tetrahydrocytisine Related Literature
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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