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89434-20-8 | 2-Heptanone, 1-(dibutylamino)-
CAS No: 89434-20-8 Catalog No: AG0044QF MDL No:
Product Description
Catalog Number:
AG0044QF
Chemical Name:
2-Heptanone, 1-(dibutylamino)-
CAS Number:
89434-20-8
Molecular Formula:
C15H31NO
Molecular Weight:
241.4127
IUPAC Name:
1-(dibutylamino)heptan-2-one
InChI:
InChI=1S/C15H31NO/c1-4-7-10-11-15(17)14-16(12-8-5-2)13-9-6-3/h4-14H2,1-3H3
InChI Key:
SYHPKPICTPEFII-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)CN(CCCC)CCCC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.241g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.419g/mol
Monoisotopic Mass:
241.241g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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