4,4''-Diaminoterphenyl

C₁₈H₁₆N₂CAS 3365-85-3260.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₆N₂
Molar mass: 260.34 g/mol
Exact mass: 260.1313 Da
logP: 4.19Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H341 Suspected of causing genetic defects66.7% of notifiers
H350 May cause cancer16.7% of notifiers
H400 Very toxic to aquatic life16.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P391, P405, P501

Identifiers

CAS number

3365-85-3

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N

InChIKey

QBSMHWVGUPQNJJ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4,4''-Diamino-P-terphenyl

Work with 4,4''-Diaminoterphenyl

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

Benzidine92-87-5100 % similar 1,3,5-Tri(4-aminophenyl)benzene118727-34-780 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-180 % similar P-Phenylenediamine106-50-375 % similar 4-Amino-P-terphenyl7293-45-075 % similar 4-Aminobiphenyl92-67-175 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-867 % similar 4-Amino-4'-chlorodiphenyl135-68-267 % similar

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

Same formula

N,N-Diphenyl-P-phenylenediamine2350-01-8 N,N′-Diphenyl-p-phenylenediamine74-31-7

Elsewhere

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