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Home > Other Heterocycles > 88750-57-6
88750-57-6 | 2,3-Diazabicyclo[2.2.1]hept-2-ene, 7-(cyclohexylmethylene)-
CAS No: 88750-57-6 Catalog No: AG004F5F MDL No:
Product Description
Catalog Number:
AG004F5F
Chemical Name:
2,3-Diazabicyclo[2.2.1]hept-2-ene, 7-(cyclohexylmethylene)-
CAS Number:
88750-57-6
Molecular Formula:
C12H18N2
Molecular Weight:
190.2847
IUPAC Name:
7-(cyclohexylmethylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C12H18N2/c1-2-4-9(5-3-1)8-10-11-6-7-12(10)14-13-11/h8-9,11-12H,1-7H2
InChI Key:
IEHLGLNLWZSIGD-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)C=C1C2CCC1N=N2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.29g/mol
Monoisotopic Mass:
190.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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