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103-14-0 | 4-(Benzylamino);phenol
CAS No: 103-14-0 Catalog No: AG003K5Y MDL No:MFCD00051312
Product Description
Catalog Number:
AG003K5Y
Chemical Name:
4-(Benzylamino);phenol
CAS Number:
103-14-0
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
MDL Number:
MFCD00051312
IUPAC Name:
4-(benzylamino)phenol
InChI:
InChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChI Key:
SRYYOKKLTBRLHT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)NCc1ccccc1
EC Number:
203-082-8
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. | Journal of medicinal chemistry 20090813 |
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