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Home > Other Heterocycles > 909229-39-6

909229-39-6

909229-39-6 | 4,6,6-trimethyl-2-(4-methylpentanoyl)-2-azabicyclo[2.2.1]heptane

CAS No: 909229-39-6 Catalog No: AG01EZ00 MDL No:

Product Description

Catalog Number:
AG01EZ00
Chemical Name:
4,6,6-trimethyl-2-(4-methylpentanoyl)-2-azabicyclo[2.2.1]heptane
CAS Number:
909229-39-6
Molecular Formula:
C15H27NO
Molecular Weight:
237.3810
IUPAC Name:
4-methyl-1-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-one
InChI:
InChI=1S/C15H27NO/c1-11(2)6-7-13(17)16-10-15(5)8-12(16)14(3,4)9-15/h11-12H,6-10H2,1-5H3
InChI Key:
DEHAFLBFUUZOMG-UHFFFAOYSA-N
SMILES:
CC(CCC(=O)N1CC2(CC1C(C2)(C)C)C)C

Properties

Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.209g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.387g/mol
Monoisotopic Mass:
237.209g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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