2,2-Bis[4-(4-aminophenoxy)phenyl]propane

C₂₇H₂₆N₂O₂CAS 13080-86-9410.52 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₂₇H₂₆N₂O₂
Molar mass: 410.52 g/mol
Exact mass: 410.1994 Da
Melting point: 126–128 °C
logP: 6.76Crippen estimate
Polar surface area: 70.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation57.7% of notifiers
H317 May cause an allergic skin reaction16.9% of notifiers
H319 Causes serious eye irritation57.7% of notifiers
H335 May cause respiratory irritation57.7% of notifiers
H413 May cause long lasting harmful effects to aquatic life16.9% of notifiers

Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13080-86-9

SMILES

CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1

InChIKey

KMKWGXGSGPYISJ-UHFFFAOYSA-N

InChI

InChI=1S/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3

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Names and synonyms

16 names · show all

Benzenamine, 4,4′-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-
Aniline, 4,4′-[isopropylidenebis(p-phenyleneoxy)]di-
4,4′-[(1-Methylethylidene)bis(4,1-phenyleneoxy)]bis[benzenamine]
2,2-Bis[p-(4-aminophenoxy)phenyl]propane
4,4′-[Isopropylidenebis(1,4-phenylene)dioxy]dianiline
Bisphenol A bis(4-aminophenyl) ether
BAPP
Cheminox CLP 5250
CLP 5250
KA 4
4-[4-[2-[4-(4-Aminophenoxy)phenyl]propan-2-yl]phenoxy]benzenamine
4,4′-Propane-2,2-diylbis(4,1-phenyleneoxy)dianiline
4,4′-(4,4′-Isopropylidenediphenyl-1,1′-diyldioxy)dianiline
Norcure 1313-50
[4-(4-[1-[4-(4-Aminophenoxy)phenyl]-1-methylethyl]phenoxy)phenyl]amine
4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline

Work with 2,2-Bis[4-(4-aminophenoxy)phenyl]propane

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 ether101-80-463 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-163 % similar 4,4′-[[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis[benzenamine]69563-88-856 % similar 1,3,5-Tris(4-aminophenoxy)benzene (135tapob)102852-92-656 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-856 % similar 4-(4-Methylphenoxy)benzenamine41295-20-955 % similar (4-Aminophenoxy)benzene139-59-354 % similar 4,4'-(((9H-Fluorene-9,9-diyl)bis(4,1-phenylene))bis(oxy))dianiline47823-88-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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