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Chemical Product CAS:4175-37-5Benzenamine,4-octyl-N-phenyl-

CAS:4175-37-5
Benzenamine,4-octyl-N-phenyl-

  • CAS No:

    4175-37-5
  • Name:

    Benzenamine,4-octyl-N-phenyl-
  • Molecular Formula:

    C20H27N
  • Molecular Weight:

    281.43508
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Benzenamine,4-octyl-N-phenyl- ( CASNO:4175-37-5 )

Identification and Related Records
Name:
Benzenamine,4-octyl-N-phenyl-
CAS Registry number:
4175-37-5
Iupac name:
4-octyl-N-phenylaniline
Synonyms:
Diphenylamine,4-octyl- (7CI,8CI)
4-Octyldiphenylamine
p-Octyldiphenylamine
EINECS(EC#):
224-040-5
Molecular Formula:
C20H27N
Molecular Weight:
281.43508
Inchi:
InChI=1/C20H27N/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)21-19-12-9-7-10-13-19/h7,9-10,12-17,21H,2-6,8,11H2,1H3
Canonical SMILES:
CCCCCCCCC1=CC=C(C=C1)NC2=CC=CC=C2
Chemical and Physical Properties
Density:
0.979g/cm3
Boiling Point:
409.3°Cat760mmHg
Refractive Index:
1.56
Flash Point:
208.3°C
Computed Properties:
Molecular Weight:281.43508 [g/mol]
Molecular Formula:C20H27N
XLogP3:8.1
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:9
Exact Mass:281.21435
MonoIsotopic Mass:281.21435
Topological Polar Surface Area:12
Heavy Atom Count:21
Formal Charge:0
Complexity:236
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:9
Conformer Sampling RMSD:0.8
CID Conformer Count:370
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