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Home > Other Heterocycles > 286-35-1
286-35-1 | 3-Azabicyclo[3.1.1]heptane
CAS No: 286-35-1 Catalog No: AG002VTU MDL No:MFCD19442693
Product Description
Catalog Number:
AG002VTU
Chemical Name:
3-Azabicyclo[3.1.1]heptane
CAS Number:
286-35-1
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
MDL Number:
MFCD19442693
IUPAC Name:
3-azabicyclo[3.1.1]heptane
InChI:
InChI=1S/C6H11N/c1-5-2-6(1)4-7-3-5/h5-7H,1-4H2
InChI Key:
PWVHZVWNAGLZFH-UHFFFAOYSA-N
SMILES:
N1CC2CC(C1)C2
Properties
Complexity:
62.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
97.161g/mol
Monoisotopic Mass:
97.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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