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84254-92-2 | 1-Butanone,1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino]-
CAS No: 84254-92-2 Catalog No: AG004YQB MDL No:
Product Description
Catalog Number:
AG004YQB
Chemical Name:
1-Butanone,1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino]-
CAS Number:
84254-92-2
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)butan-1-one
InChI:
InChI=1S/C13H19NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,14-16H,4H2,1-3H3
InChI Key:
NHSSSPKMGHYPKB-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(c(c1)O)O)NC(C)C
EC Number:
282-538-8
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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