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141228-51-5 | Phenol, 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4-nonyl-
CAS No: 141228-51-5 Catalog No: AG001G3E MDL No:
Product Description
Catalog Number:
AG001G3E
Chemical Name:
Phenol, 2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4-nonyl-
CAS Number:
141228-51-5
Molecular Formula:
C26H49N3O
Molecular Weight:
419.6868
IUPAC Name:
2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4-nonylphenol
InChI:
InChI=1S/C26H49N3O/c1-6-7-8-9-10-11-12-15-24-16-17-26(30)25(22-24)23-29(20-13-18-27(2)3)21-14-19-28(4)5/h16-17,22,30H,6-15,18-21,23H2,1-5H3
InChI Key:
QFKHDOVXGPXXRI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc(c(c1)CN(CCCN(C)C)CCCN(C)C)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.388g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.698g/mol
Monoisotopic Mass:
419.388g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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