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89729-32-8 | Phenol, 2,6-bis[[bis[2-(2-pyridinyl)ethyl]amino]methyl]-4-methyl-
CAS No: 89729-32-8 Catalog No: AG0041ZN MDL No:
Product Description
Catalog Number:
AG0041ZN
Chemical Name:
Phenol, 2,6-bis[[bis[2-(2-pyridinyl)ethyl]amino]methyl]-4-methyl-
CAS Number:
89729-32-8
Molecular Formula:
C37H42N6O
Molecular Weight:
586.7690
IUPAC Name:
2,6-bis[[bis(2-pyridin-2-ylethyl)amino]methyl]-4-methylphenol
InChI:
InChI=1S/C37H42N6O/c1-30-26-31(28-42(22-14-33-10-2-6-18-38-33)23-15-34-11-3-7-19-39-34)37(44)32(27-30)29-43(24-16-35-12-4-8-20-40-35)25-17-36-13-5-9-21-41-36/h2-13,18-21,26-27,44H,14-17,22-25,28-29H2,1H3
InChI Key:
OZOBAZQEWNIFLC-UHFFFAOYSA-N
SMILES:
Cc1cc(CN(CCc2ccccn2)CCc2ccccn2)c(c(c1)CN(CCc1ccccn1)CCc1ccccn1)O
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.342g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
586.784g/mol
Monoisotopic Mass:
586.342g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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