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20422-68-8 | 4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2R,4S,4aR,8aR)-rel-
CAS No: 20422-68-8 Catalog No: AG0029CJ MDL No:
Product Description
Catalog Number:
AG0029CJ
Chemical Name:
4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2R,4S,4aR,8aR)-rel-
CAS Number:
20422-68-8
Molecular Formula:
C13H25NO
Molecular Weight:
211.3437
IUPAC Name:
4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
InChI:
InChI=1S/C13H25NO/c1-4-13(15)9-10(2)14(3)12-8-6-5-7-11(12)13/h10-12,15H,4-9H2,1-3H3
InChI Key:
UKBFFPGRVCZRQZ-UHFFFAOYSA-N
SMILES:
CC[C@]1(O)C[C@@H](C)N([C@H]2[C@H]1CCCC2)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.194g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.349g/mol
Monoisotopic Mass:
211.194g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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