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Home > Other Heterocycles > 198988-86-2
198988-86-2 | 2,5-Diazabicyclo[2.2.1]heptane, 2-(4-methylphenyl)-
CAS No: 198988-86-2 Catalog No: AG002BUR MDL No:
Product Description
Catalog Number:
AG002BUR
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-(4-methylphenyl)-
CAS Number:
198988-86-2
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
IUPAC Name:
2-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane
InChI:
InChI=1S/C12H16N2/c1-9-2-4-11(5-3-9)14-8-10-6-12(14)7-13-10/h2-5,10,12-13H,6-8H2,1H3
InChI Key:
CWQAIKITMMBWQC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1CC2CC1CN2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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