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Home > Other Heterocycles > 67571-93-1
67571-93-1 | 3,8-Diazabicyclo[3.2.1]octane, 3-(1-oxopropyl)-
CAS No: 67571-93-1 Catalog No: AG005ZL9 MDL No:
Product Description
Catalog Number:
AG005ZL9
Chemical Name:
3,8-Diazabicyclo[3.2.1]octane, 3-(1-oxopropyl)-
CAS Number:
67571-93-1
Molecular Formula:
C9H16N2O
Molecular Weight:
168.2361
IUPAC Name:
1-(3,8-diazabicyclo[3.2.1]octan-3-yl)propan-1-one
InChI:
InChI=1S/C9H16N2O/c1-2-9(12)11-5-7-3-4-8(6-11)10-7/h7-8,10H,2-6H2,1H3
InChI Key:
ZKOHVSCGMKYLTB-UHFFFAOYSA-N
SMILES:
CCC(=O)N1CC2CCC(C1)N2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.24g/mol
Monoisotopic Mass:
168.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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