Cas no 5121-36-8 (N-[(E)-(9aR)-hexahydro-2H-quinolizin-1(6H)-ylidenemethyl]acetamide)
![N-[(E)-(9aR)-hexahydro-2H-quinolizin-1(6H)-ylidenemethyl]acetamide structure](https://ossimg.kuujia.com/scimg/5500/5121-36-8x500.png)
5121-36-8 structure
Product Name:N-[(E)-(9aR)-hexahydro-2H-quinolizin-1(6H)-ylidenemethyl]acetamide
CAS No:5121-36-8
MF:C12H20N2O
MW:208.300003051758
CID:1570995
PubChem ID:6452371
Update Time:2025-04-21
N-[(E)-(9aR)-hexahydro-2H-quinolizin-1(6H)-ylidenemethyl]acetamide Chemical and Physical Properties
Names and Identifiers
-
- N-[(E)-(9aR)-hexahydro-2H-quinolizin-1(6H)-ylidenemethyl]acetamide
- LUSITANINE
- N-[(E)-[(9aR)-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene]methyl]acetamide
- Lusitanin
- AKOS040752758
- (-)-Lusitanine
- 5121-36-8
- UNII-3670K7590L
- Acetamide, N-((hexahydro-2H-quinolizin-1(6H)-ylidene)methyl)-, (R-(E))-
- 3670K7590L
-
- Inchi： 1S/C12H20N2O/c1-10(15)13-9-11-5-4-8-14-7-3-2-6-12(11)14/h9,12H,2-8H2,1H3,(H,13,15)/b11-9+/t12-/m1/s1
- InChI Key： XKKRQPPGOROKBD-LMMOQWNQSA-N
- SMILES： O=C(C)N/C=C1\CCCN2CCCC[C@@H]2\1
Computed Properties
- Exact Mass: 208.1577
- Monoisotopic Mass: 208.157563266g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 273
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- PSA: 32.34
N-[(E)-(9aR)-hexahydro-2H-quinolizin-1(6H)-ylidenemethyl]acetamide Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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