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Home > Other Heterocycles > 88880-87-9
88880-87-9 | 2,4-Diazabicyclo[3.3.1]non-2-ene, 8-methyl-
CAS No: 88880-87-9 Catalog No: AG0049XW MDL No:
Product Description
Catalog Number:
AG0049XW
Chemical Name:
2,4-Diazabicyclo[3.3.1]non-2-ene, 8-methyl-
CAS Number:
88880-87-9
Molecular Formula:
C8H14N2
Molecular Weight:
138.2102
IUPAC Name:
8-methyl-2,4-diazabicyclo[3.3.1]non-2-ene
InChI:
InChI=1S/C8H14N2/c1-6-2-3-7-4-8(6)10-5-9-7/h5-8H,2-4H2,1H3,(H,9,10)
InChI Key:
USPHELBFHVZONM-UHFFFAOYSA-N
SMILES:
CC1CCC2CC1N=CN2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.116g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.214g/mol
Monoisotopic Mass:
138.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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