chempirical

N1,N1,N4,N4-Tetrakis[4-(dibutylamino)phenyl]-1,4-benzenediamine

C62H92N6CAS 4182-80-3921.46 g/mol

Open in Covalent MOL file
NNNNNN
Tertiary amine

Properties

Molecular formula
C62H92N6
Molar mass
921.46 g/mol
Exact mass
920.7383 Da
Melting point
92–94 °C
logP
18.25Crippen estimate
Polar surface area
19.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
34

Identifiers

CAS number
4182-80-3
SMILES
CCCCN(CCCC)c1ccc(N(c2ccc(N(CCCC)CCCC)cc2)c2ccc(N(c3ccc(N(CCCC)CCCC)cc3)c3ccc(N(CCCC)CCCC)cc3)cc2)cc1
InChIKey
GVNSFLFOZIYBPH-UHFFFAOYSA-N
InChI
InChI=1S/C62H92N6/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8/h25-44H,9-24,45-52H2,1-8H3

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Names and synonyms

9 names
  • 1,4-Benzenediamine, N1,N1,N4,N4-tetrakis[4-(dibutylamino)phenyl]-
  • p-Phenylenediamine, N,N,N′,N′-tetrakis[p-(dibutylamino)phenyl]-
  • 1,4-Benzenediamine, N,N,N′,N′-tetrakis[4-(dibutylamino)phenyl]-
  • NIR-AM 1
  • N,N,N′,N′-Tetrakis[p-(dibutylamino)phenyl]-p-phenylenediamine
  • N,N,N′,N′-Tetrakis[p-(dibutylamino)phenyl]-1,4-phenylenediamine
  • N,N,N′,N′-Tetrakis(4-dibutylaminophenyl)-p-phenylenediamine
  • 1-N,1-N-Dibutyl-4-N-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine
  • 1,4-Benzenediamine N1,N1,N4,N4-tetrakis[4-(dibutylamino)phenyl]-

Work with N1,N1,N4,N4-Tetrakis[4-(dibutylamino)phenyl]-1,4-benzenediamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N-Dibutylbenzenamine613-29-669 % similar 2-(Butylphenylamino)ethanol3046-94-456 % similar 3-(Butylphenylamino)propanenitrile61852-40-255 % similar N,N-Dibutyl-3-aminophenol43141-69-150 % similar 1-Phenylpyrrolidine4096-21-344 % similar 4-Pyrrolidinylpyridine2456-81-741 % similar 4-(1-Pyrrolidinyl)benzaldehyde51980-54-241 % similar Tributylamine102-82-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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