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Home > Other Heterocycles > 88880-91-5
88880-91-5 | 2,4-Diazabicyclo[3.3.1]non-2-ene, 3,9-dimethyl-
CAS No: 88880-91-5 Catalog No: AG0049XU MDL No:
Product Description
Catalog Number:
AG0049XU
Chemical Name:
2,4-Diazabicyclo[3.3.1]non-2-ene, 3,9-dimethyl-
CAS Number:
88880-91-5
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
IUPAC Name:
3,9-dimethyl-2,4-diazabicyclo[3.3.1]non-2-ene
InChI:
InChI=1S/C9H16N2/c1-6-8-4-3-5-9(6)11-7(2)10-8/h6,8-9H,3-5H2,1-2H3,(H,10,11)
InChI Key:
GHWOJQGPSSYBOT-UHFFFAOYSA-N
SMILES:
CC1=NC2C(C(N1)CCC2)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.241g/mol
Monoisotopic Mass:
152.131g/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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