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821784-55-8 | Phenol, 3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]methylamino]methyl]-
CAS No: 821784-55-8 Catalog No: AG00578U MDL No:
Product Description
Catalog Number:
AG00578U
Chemical Name:
Phenol, 3-[[[5-(4-hydroxyphenyl)-3-pyridinyl]methylamino]methyl]-
CAS Number:
821784-55-8
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
IUPAC Name:
3-[[[5-(4-hydroxyphenyl)pyridin-3-yl]methylamino]methyl]phenol
InChI:
InChI=1S/C19H18N2O2/c22-18-6-4-16(5-7-18)17-8-15(12-21-13-17)11-20-10-14-2-1-3-19(23)9-14/h1-9,12-13,20,22-23H,10-11H2
InChI Key:
PTAFTERNRLILOB-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cncc(c1)CNCc1cccc(c1)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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