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821784-08-1 | Phenol, 4-[5-[(2-naphthalenylmethyl)amino]-3-pyridinyl]-
CAS No: 821784-08-1 Catalog No: AG005791 MDL No:
Product Description
Catalog Number:
AG005791
Chemical Name:
Phenol, 4-[5-[(2-naphthalenylmethyl)amino]-3-pyridinyl]-
CAS Number:
821784-08-1
Molecular Formula:
C22H18N2O
Molecular Weight:
326.3911
IUPAC Name:
4-[5-(naphthalen-2-ylmethylamino)pyridin-3-yl]phenol
InChI:
InChI=1S/C22H18N2O/c25-22-9-7-18(8-10-22)20-12-21(15-23-14-20)24-13-16-5-6-17-3-1-2-4-19(17)11-16/h1-12,14-15,24-25H,13H2
InChI Key:
IHPGDNDKTUQKJU-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cncc(c1)NCc1ccc2c(c1)cccc2
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.399g/mol
Monoisotopic Mass:
326.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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