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139702-00-4 | 1-Butanone, 3-[(2-aminoethyl)imino]-1-(2-hydroxyphenyl)-
CAS No: 139702-00-4 Catalog No: AG001BJ8 MDL No:
Product Description
Catalog Number:
AG001BJ8
Chemical Name:
1-Butanone, 3-[(2-aminoethyl)imino]-1-(2-hydroxyphenyl)-
CAS Number:
139702-00-4
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
3-(2-aminoethylimino)-1-(2-hydroxyphenyl)butan-1-one
InChI:
InChI=1S/C12H16N2O2/c1-9(14-7-6-13)8-12(16)10-4-2-3-5-11(10)15/h2-5,15H,6-8,13H2,1H3
InChI Key:
RKZPIIPNHYHMQJ-UHFFFAOYSA-N
SMILES:
NCCN=C(CC(=O)c1ccccc1O)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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