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28836-20-6 | Ethanone, 2-(butylamino)-1-(4-hydroxyphenyl)-, hydrochloride (1:1)
CAS No: 28836-20-6 Catalog No: AG002WPE MDL No:
Product Description
Catalog Number:
AG002WPE
Chemical Name:
Ethanone, 2-(butylamino)-1-(4-hydroxyphenyl)-, hydrochloride (1:1)
CAS Number:
28836-20-6
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
IUPAC Name:
2-(butylamino)-1-(4-hydroxyphenyl)ethanone;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;/h4-7,13-14H,2-3,8-9H2,1H3;1H
InChI Key:
CGKWVBXPIYSYAY-UHFFFAOYSA-N
SMILES:
CCCCNCC(=O)c1ccc(cc1)O.Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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