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156547-62-5 | Ethanone, 2-[(1,1-dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-
CAS No: 156547-62-5 Catalog No: AG001OSC MDL No:
Product Description
Catalog Number:
AG001OSC
Chemical Name:
Ethanone, 2-[(1,1-dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-
CAS Number:
156547-62-5
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone
InChI:
InChI=1S/C13H19NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,14-16H,7-8H2,1-3H3
InChI Key:
WHJAFZHZZCVHJI-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1O)C(=O)CNC(C)(C)C
UNII:
T0IO19163J
Properties
Complexity:
260
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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