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Home > Other Heterocycles > 108437-46-3
108437-46-3 | 3,9-Diazabicyclo[4.2.1]nonane, 9-(phenylmethyl)-
CAS No: 108437-46-3 Catalog No: AG00HB66 MDL No:MFCD13196463
Product Description
Catalog Number:
AG00HB66
Chemical Name:
3,9-Diazabicyclo[4.2.1]nonane, 9-(phenylmethyl)-
CAS Number:
108437-46-3
Molecular Formula:
C14H20N2
Molecular Weight:
216.3220
MDL Number:
MFCD13196463
IUPAC Name:
9-benzyl-3,9-diazabicyclo[4.2.1]nonane
InChI:
InChI=1S/C14H20N2/c1-2-4-12(5-3-1)11-16-13-6-7-14(16)10-15-9-8-13/h1-5,13-15H,6-11H2
InChI Key:
WJNTXJZFBOWQPF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1C2CCNCC1CC2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.328g/mol
Monoisotopic Mass:
216.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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