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138197-87-2 | 1,2-Ethanediol, 1,2-bis(1,2,3,4-tetrahydro-8-methyl-2-quinolinyl)-
CAS No: 138197-87-2 Catalog No: AG00189O MDL No:
Product Description
Catalog Number:
AG00189O
Chemical Name:
1,2-Ethanediol, 1,2-bis(1,2,3,4-tetrahydro-8-methyl-2-quinolinyl)-
CAS Number:
138197-87-2
Molecular Formula:
C22H28N2O2
Molecular Weight:
352.4699
IUPAC Name:
1,2-bis(8-methyl-1,2,3,4-tetrahydroquinolin-2-yl)ethane-1,2-diol
InChI:
InChI=1S/C22H28N2O2/c1-13-5-3-7-15-9-11-17(23-19(13)15)21(25)22(26)18-12-10-16-8-4-6-14(2)20(16)24-18/h3-8,17-18,21-26H,9-12H2,1-2H3
InChI Key:
RESUXGAUVSCZKS-UHFFFAOYSA-N
SMILES:
OC(C(C1CCc2c(N1)c(C)ccc2)O)C1CCc2c(N1)c(C)ccc2
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.215g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
352.478g/mol
Monoisotopic Mass:
352.215g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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