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Home > Other Heterocycles > 114086-14-5
114086-14-5 | 2,5-Diazabicyclo[2.2.1]heptane, 2-(phenylmethyl)-
CAS No: 114086-14-5 Catalog No: AG000AIY MDL No:MFCD08694084
Product Description
Catalog Number:
AG000AIY
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-(phenylmethyl)-
CAS Number:
114086-14-5
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
MDL Number:
MFCD08694084
IUPAC Name:
2-benzyl-2,5-diazabicyclo[2.2.1]heptane
InChI:
InChI=1S/C12H16N2/c1-2-4-10(5-3-1)8-14-9-11-6-12(14)7-13-11/h1-5,11-13H,6-9H2
InChI Key:
JPRFUVVWNBBEDI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CC2CC1CN2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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