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16634-97-2 | 2-Butanone, 4-(dibutylamino)-
CAS No: 16634-97-2 Catalog No: AG001WNT MDL No:
Product Description
Catalog Number:
AG001WNT
Chemical Name:
2-Butanone, 4-(dibutylamino)-
CAS Number:
16634-97-2
Molecular Formula:
C12H25NO
Molecular Weight:
199.3330
IUPAC Name:
4-(dibutylamino)butan-2-one
InChI:
InChI=1S/C12H25NO/c1-4-6-9-13(10-7-5-2)11-8-12(3)14/h4-11H2,1-3H3
InChI Key:
LIAJIEYGDJIUMF-UHFFFAOYSA-N
SMILES:
CCCCN(CCC(=O)C)CCCC
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.194g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.338g/mol
Monoisotopic Mass:
199.194g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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