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Home > Other Heterocycles > 1211722-18-7
1211722-18-7 | 9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CAS No: 1211722-18-7 Catalog No: AG019R5T MDL No:MFCD13196455
Product Description
Catalog Number:
AG019R5T
Chemical Name:
9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CAS Number:
1211722-18-7
Molecular Formula:
C10H18N2O
Molecular Weight:
182.2627
MDL Number:
MFCD13196455
IUPAC Name:
9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
InChI:
InChI=1S/C10H18N2O/c1-2-5-12-8-3-4-9(12)7-11-10(13)6-8/h8-9H,2-7H2,1H3,(H,11,13)
InChI Key:
TXUOPEDMZNLAOE-UHFFFAOYSA-N
SMILES:
CCCN1C2CNC(=O)CC1CC2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.267g/mol
Monoisotopic Mass:
182.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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