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101-67-7 | Benzenamine, 4-octyl-N-(4-octylphenyl)-
CAS No: 101-67-7 Catalog No: AG0003G1 MDL No:MFCD00048942
Product Description
Catalog Number:
AG0003G1
Chemical Name:
Benzenamine, 4-octyl-N-(4-octylphenyl)-
CAS Number:
101-67-7
Molecular Formula:
C28H43N
Molecular Weight:
393.6477
MDL Number:
MFCD00048942
IUPAC Name:
4-octyl-N-(4-octylphenyl)aniline
InChI:
InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3
InChI Key:
QAPVYZRWKDXNDK-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC
UNII:
28396EFO9I
NSC Number:
79268
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.34g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.659g/mol
Monoisotopic Mass:
393.34g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6
Literature
| Title | Journal |
|---|---|
| Anthropogenic organic contaminants in sediments of the Lippe river, Germany. | Water research 20040901 |
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