N,N-Diphenyl-P-phenylenediamine

C₁₈H₁₆N₂CAS 2350-01-8260.34 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₈H₁₆N₂
Molar mass: 260.34 g/mol
Exact mass: 260.1313 Da
logP: 4.74Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

2350-01-8

SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N

InChIKey

UXKQNCDDHDBAPD-UHFFFAOYSA-N

InChI

InChI=1S/C18H16N2/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,19H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with N,N-Diphenyl-P-phenylenediamine

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,N',N'-Tetrakis(4-aminophenyl)-1,4-benzenediamine3283-07-679 % similar N1,N1-Bis(4-aminophenyl)-1,4-benzenediamine5981-09-979 % similar Triphenylamine603-34-963 % similar N,N,N′,N′-Tetraphenylbenzidine15546-43-759 % similar N-[1,1-Biphenyl]-4-yl-N-phenyl-[1,1-biphenyl]-4-amine122215-84-357 % similar Polyaniline25233-30-155 % similar Aniline62-53-355 % similar [1,1'-Biphenyl]-4,4'-diamine, N4,N4,N4',N4'-tetrakis([1,1'-biphenyl]-4-yl)-164724-35-052 % similar

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

Same formula

4,4''-Diaminoterphenyl3365-85-3 N,N′-Diphenyl-p-phenylenediamine74-31-7

Elsewhere

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