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Home > Other Heterocycles > 88880-89-1
88880-89-1 | 2,4-Diazabicyclo[3.3.1]non-2-ene, 8-methyl-3-phenyl-
CAS No: 88880-89-1 Catalog No: AG0049XV MDL No:
Product Description
Catalog Number:
AG0049XV
Chemical Name:
2,4-Diazabicyclo[3.3.1]non-2-ene, 8-methyl-3-phenyl-
CAS Number:
88880-89-1
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
IUPAC Name:
8-methyl-3-phenyl-2,4-diazabicyclo[3.3.1]non-2-ene
InChI:
InChI=1S/C14H18N2/c1-10-7-8-12-9-13(10)16-14(15-12)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,15,16)
InChI Key:
VJKJXDKTWSCKJS-UHFFFAOYSA-N
SMILES:
CC1CCC2CC1N=C(N2)c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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