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Home > Other Heterocycles > 1272321-70-6
1272321-70-6 | 3,6-Diazabicyclo[3.2.2]nonan-7-one, 3-(phenylMethyl)-
CAS No: 1272321-70-6 Catalog No: AG000WS0 MDL No:
Product Description
Catalog Number:
AG000WS0
Chemical Name:
3,6-Diazabicyclo[3.2.2]nonan-7-one, 3-(phenylMethyl)-
CAS Number:
1272321-70-6
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
3-benzyl-3,6-diazabicyclo[3.2.2]nonan-7-one
InChI:
InChI=1S/C14H18N2O/c17-14-12-6-7-13(15-14)10-16(9-12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,17)
InChI Key:
BJIARHXPANJFCV-UHFFFAOYSA-N
SMILES:
O=C1NC2CCC1CN(C2)Cc1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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