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127309-78-8 | 2,3-Diazabicyclo[2.2.1]hept-2-ene, 7,7-dimethyl-1,4-diphenyl-
CAS No: 127309-78-8 Catalog No: AG000WXE MDL No:
Product Description
Catalog Number:
AG000WXE
Chemical Name:
2,3-Diazabicyclo[2.2.1]hept-2-ene, 7,7-dimethyl-1,4-diphenyl-
CAS Number:
127309-78-8
Molecular Formula:
C19H20N2
Molecular Weight:
276.3755
IUPAC Name:
7,7-dimethyl-1,4-diphenyl-2,3-diazabicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C19H20N2/c1-17(2)18(15-9-5-3-6-10-15)13-14-19(17,21-20-18)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChI Key:
XLDOQMOROCIBPQ-UHFFFAOYSA-N
SMILES:
CC1(C)C2(CCC1(N=N2)c1ccccc1)c1ccccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.383g/mol
Monoisotopic Mass:
276.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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