Cas no 27766-71-8 (Quinoline,decahydro-5-methyl-2-propyl-, (2S,4aS,5R,8aR)-)
27766-71-8 structure
Product Name:Quinoline,decahydro-5-methyl-2-propyl-, (2S,4aS,5R,8aR)-
CAS No:27766-71-8
MF:C13H25N
MW:195.344303846359
CID:258634
PubChem ID:114949
Update Time:2025-04-19
Quinoline,decahydro-5-methyl-2-propyl-, (2S,4aS,5R,8aR)- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline,decahydro-5-methyl-2-propyl-, (2S,4aS,5R,8aR)-
- (2S,4aS,5R,8aR)-5-Methyl-2-propyldecahydroquinoline
- Quinoline, decahydro-5-methyl-2-propyl-, (2S-(2alpha,4abeta,5beta,8abeta))-
- (2S,4As,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
- SCHEMBL923626
- Decahydro-5-methyl-2-propyl-quinoline
- (2S,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
- 27766-71-8
- AKOS040753654
- Decahydro-5-methyl-2-propylquinoline
- Quinoline, decahydro-5-methyl-2-propyl-, (2S,4aS,5R,8aR)-
- (2S, 4aS, 5R, 8aR)-5-methyl-2-propyl-1, 2, 3, 4, 4a, 5, 6, 7, 8, 8a-decahydroquinoline
- (+-)-2-epi-pumiliotoxin C
- 5-Methyl-2-propyldecahydroquinoline
- DTXSID60950451
- Pumiliotoxin C
-
- Inchi： 1S/C13H25N/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11/h10-14H,3-9H2,1-2H3/t10-,11+,12+,13-/m1/s1
- InChI Key： PSGDYNNBBROEEW-MROQNXINSA-N
- SMILES： N1[C@@H](CCC)CC[C@H]2[C@H](C)CCC[C@@H]12
Computed Properties
- Exact Mass: 195.19885
- Monoisotopic Mass: 195.198699802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 178
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
Quinoline,decahydro-5-methyl-2-propyl-, (2S,4aS,5R,8aR)- Related Literature
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
27766-71-8 (Quinoline,decahydro-5-methyl-2-propyl-, (2S,4aS,5R,8aR)-) Related Products
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