4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]

C₁₈H₁₆N₂O₂CAS 3491-12-1292.34 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₈H₁₆N₂O₂
Molar mass: 292.34 g/mol
Exact mass: 292.1212 Da
Melting point: 173 °C
logP: 4.44Crippen estimate
Polar surface area: 70.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H400 Very toxic to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3491-12-1

SMILES

Nc1ccc(Oc2ccc(Oc3ccc(N)cc3)cc2)cc1

InChIKey

JCRRFJIVUPSNTA-UHFFFAOYSA-N

InChI

InChI=1S/C18H16N2O2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2

Weigh it out

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

Names and synonyms

10 names

Benzenamine, 4,4′-[1,4-phenylenebis(oxy)]bis-
Aniline, 4,4′-(p-phenylenedioxy)di-
p-Bis(4-aminophenoxy)benzene
p-Phenylenebis(oxy-p-phenylene)diamine
1,4-Bis(p-aminophenoxy)benzene
4,4′-(p-Phenylenedioxy)dianiline
4,4′-[1,4-Phenylenebis(oxy)]bis[aniline]
1,4-Bis(4-aminophenoxy)benzene
B 1243
4,4′-(1,4-Phenylenebis(oxy))dianiline

Work with 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]

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

4,4′-Diaminodiphenyl ether101-80-4100 % similar 1,3,5-Tris(4-aminophenoxy)benzene (135tapob)102852-92-683 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-883 % similar (4-Aminophenoxy)benzene139-59-379 % similar 4-(4-Chlorophenoxy)benzenamine101-79-171 % similar 4-(4-Methylphenoxy)benzenamine41295-20-971 % similar 3,4′-Diaminodiphenyl ether2657-87-665 % similar 2,2-Bis[4-(4-aminophenoxy)phenyl]propane13080-86-963 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3′-[1,3-Phenylenebis(oxy)]bis[benzenamine]10526-07-5 4,4′-[1,3-Phenylenebis(oxy)]bis[benzenamine]2479-46-1 (-)-Blebbistatin856925-71-8

Elsewhere

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