Cas no 83728-92-1 (N-Ethylcytisine)
N-Ethylcytisine structure
Product Name:N-Ethylcytisine
CAS No:83728-92-1
MF:C13H18N2O
MW:218.294823169708
CID:2063222
PubChem ID:16637612
Update Time:2025-04-21
N-Ethylcytisine Chemical and Physical Properties
Names and Identifiers
-
- N-Ethylcytisine
- AKOS000276921
- DTXSID001127142
- 83728-92-1
- (1R,5S)-3-Ethyl-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
- (-)-N-Ethylcytisine
-
- Inchi： 1S/C13H18N2O/c1-2-14-7-10-6-11(9-14)12-4-3-5-13(16)15(12)8-10/h3-5,10-11H,2,6-9H2,1H3/t10-,11+/m0/s1
- InChI Key： KBLPVTVCSMTFDG-WDEREUQCSA-N
- SMILES： O=C1C=CC=C2[C@H]3CN(CC)C[C@@H](CN21)C3
Computed Properties
- Exact Mass: 218.141913202g/mol
- Monoisotopic Mass: 218.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 372
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 23.6?2
N-Ethylcytisine Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
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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