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Home > Other Heterocycles > 67571-90-8
67571-90-8 | 3-Benzyl-3,8-diazabicyclo[3.2.1]octane
CAS No: 67571-90-8 Catalog No: AG005ZLA MDL No:MFCD20441694
Product Description
Catalog Number:
AG005ZLA
Chemical Name:
3-Benzyl-3,8-diazabicyclo[3.2.1]octane
CAS Number:
67571-90-8
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
MDL Number:
MFCD20441694
IUPAC Name:
3-benzyl-3,8-diazabicyclo[3.2.1]octane
InChI:
InChI=1S/C13H18N2/c1-2-4-11(5-3-1)8-15-9-12-6-7-13(10-15)14-12/h1-5,12-14H,6-10H2
InChI Key:
QXMPIEOTDBYZDL-UHFFFAOYSA-N
SMILES:
C1CC2NC1CN(C2)Cc1ccccc1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.301g/mol
Monoisotopic Mass:
202.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antiproliferative properties of N3/8-disubstituted 3,8-diazabicyclo[3.2.1]octane analogues of 3,8-bis[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl-piperazine. | European journal of medicinal chemistry 20070301 |
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