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Home > Other Heterocycles > 133097-95-7
133097-95-7 | 2,5-Diazabicyclo[2.2.1]heptane, 2-methyl-, (1R,4R)-
CAS No: 133097-95-7 Catalog No: AG001499 MDL No:MFCD18382566
Product Description
Catalog Number:
AG001499
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-methyl-, (1R,4R)-
CAS Number:
133097-95-7
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
MDL Number:
MFCD18382566
IUPAC Name:
(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane
InChI:
InChI=1S/C6H12N2/c1-8-4-5-2-6(8)3-7-5/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
InChI Key:
YFDRYBUJCGOYCQ-PHDIDXHHSA-N
SMILES:
CN1C[C@H]2C[C@@H]1CN2
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
112.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.176g/mol
Monoisotopic Mass:
112.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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