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Home > Other Heterocycles > 98531-68-1
98531-68-1 | 1-methyl-2-azabicyclo[2.1.1]hexane
CAS No: 98531-68-1 Catalog No: AG01B5B7 MDL No:MFCD17016726
Product Description
Catalog Number:
AG01B5B7
Chemical Name:
1-methyl-2-azabicyclo[2.1.1]hexane
CAS Number:
98531-68-1
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
MDL Number:
MFCD17016726
IUPAC Name:
1-methyl-2-azabicyclo[2.1.1]hexane
InChI:
InChI=1S/C6H11N/c1-6-2-5(3-6)4-7-6/h5,7H,2-4H2,1H3
InChI Key:
MXWAUZMHERJQJE-UHFFFAOYSA-N
SMILES:
CC12NCC(C1)C2
Properties
Complexity:
92.4
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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