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


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

Identification and Related Records
CAS Registry number:
Iupac name:
Diphenylamine,4-octyl- (7CI,8CI)
Molecular Formula:
Molecular Weight:
Canonical SMILES:
Chemical and Physical Properties
Boiling Point:
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:281.43508 [g/mol]
Molecular Formula:C20H27N
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
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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