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141676-24-6 | Phenol, 2-[(dipropylamino)methyl]-3-pentadecyl-
CAS No: 141676-24-6 Catalog No: AG001GV7 MDL No:
Product Description
Catalog Number:
AG001GV7
Chemical Name:
Phenol, 2-[(dipropylamino)methyl]-3-pentadecyl-
CAS Number:
141676-24-6
Molecular Formula:
C28H51NO
Molecular Weight:
417.7106
IUPAC Name:
2-[(dipropylamino)methyl]-3-pentadecylphenol
InChI:
InChI=1S/C28H51NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-26-21-19-22-28(30)27(26)25-29(23-5-2)24-6-3/h19,21-22,30H,4-18,20,23-25H2,1-3H3
InChI Key:
LRKBLZCQFRAUJH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1cccc(c1CN(CCC)CCC)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.397g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.722g/mol
Monoisotopic Mass:
417.397g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
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