N,N'-dibutylbiphenyl-4,4'-diamine 5324-31-2

Details:

Identification and Related Records
【Name】
N,N'-dibutylbiphenyl-4,4'-diamine
【CAS Registry number】
5324-31-2
【Synonyms】
n,n'
-dibutylbiphenyl-4,4'
-diamine
NSC2673
AC1Q4TPS
AC1L58GG
NSC-2673
AR-1K1819
4,4'
-BIS(DIBUTYLAMINO)BIPHENYL
N-butyl-4-[4-(butylamino)phenyl]aniline
N-BUTYL-4-(4-BUTYLAMINOPHENYL)ANILINE
【Molecular Formula】
C20H28N2 (Products with the same molecular formula)
【Molecular Weight】
296.4497
【Inchi】
InChI=1/C20H28N2/c1-3-5-15-21-19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-16-6-4-2/h7-14,21-22H,3-6,15-16H2,1-2H3
【Canonical SMILES】
CCCCNC1=CC=C(C=C1)C2=CC=C(C=C2)NCCCC
【MOL File】
5324-31-2.mol
Chemical and Physical Properties
【Density】
1.012g/cm3
【Boiling Point】
457°C at 760 mmHg
【Refractive Index】
1.583
【Flash Point】
276.4°C
【Computed Properties】
Molecular Weight:296.44972 [g/mol]
Molecular Formula:C20H28N2
XLogP3-AA:6
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:9
Exact Mass:296.225249
MonoIsotopic Mass:296.225249
Topological Polar Surface Area:24.1
Heavy Atom Count:22
Formal Charge:0
Complexity:235
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:2
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:9
Conformer Sampling RMSD:0.8
CID Conformer Count:77