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2,2-Bis[4-(4-Aminophenoxy)Phenyl]Propane
CAS: 13080-86-9 | C27H26N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
13080-86-9
Molecular Formula:
C27H26N2O2
Molecular Mass:
410.52 g/mol
Names and Synonyms:
2,2-Bis[4-(4-Aminophenoxy)Phenyl]Propane
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
2,2-Bis[4-(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
Identifiers:
SMILES:
CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1
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
Key Properties
Melting Point
126-128 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 410.52 g/mol | CAS Common Chemistry |
| 410.51700000000017 g/mol | RDKit | |
| 410.199428072 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=C(N)C=C1)C2=CC=C(C=C2)C(C3=CC=C(OC4=CC=C(N)C=C4)C=C3)(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=KMKWGXGSGPYISJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126-128 °C | CAS Common Chemistry |
| Name | 2,2-Bis[4-(4-aminophenoxy)phenyl]propane | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 70.5 Ų | RDKit |
| LogP | 6.761500000000004 | RDKit |
| Molar Refractivity | 126.86880000000002 | RDKit |
