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3-methyl-3,6-diazabicyclo[3.1.1]heptane

3-methyl-3,6-diazabicyclo[3.1.1]heptane

CAS: 1059700-16-1

Formula: C6H12N2

SMILES: CN1CC2CC(C1)N2

IUPAC: 3-methyl-3,6-diazabicyclo[3.1.1]heptane

InChI: InChI=1/C6H12N2/c1-8-3-5-2-6(4-8)7-5/h5-7H,2-4H2,1H3

Composition: C (64.24%), H (10.78%), N (24.97%)

Molar Mass: 112.176

Atom Count: 20

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 112.100048394
Formal Charge 0
FSP3 1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PWOVIVDQSUNZNN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.98
Topological Polar Surface Area 15.27
Polarizability 13.38
Ring Count 2
Rotatable Bond Count 0

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96% <2 Days 1059700-16-1 $171.35-$3,737.50$171.35$227.70$339.25$563.50$1,012.00$3,737.50
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