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87060-90-0 | Pyrimidine, hexahydro-1-methyl-5,6-diphenyl-, trans-
CAS No: 87060-90-0 Catalog No: AG004JDJ MDL No:
Product Description
Catalog Number:
AG004JDJ
Chemical Name:
Pyrimidine, hexahydro-1-methyl-5,6-diphenyl-, trans-
CAS Number:
87060-90-0
Molecular Formula:
C17H20N2
Molecular Weight:
252.3541
IUPAC Name:
(5R,6R)-1-methyl-5,6-diphenyl-1,3-diazinane
InChI:
InChI=1S/C17H20N2/c1-19-13-18-12-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3/t16-,17-/m0/s1
InChI Key:
GHCIKNSCQQQUDR-IRXDYDNUSA-N
SMILES:
CN1CNC[C@H]([C@@H]1c1ccccc1)c1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
252.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.361g/mol
Monoisotopic Mass:
252.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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