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Molecule
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
Identifiers
CAS Registry Number
13080-86-9
SMILES
CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1
InChI Key
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
Names and Synonyms
- 2,2-Bis[4-(4-Aminophenoxy)Phenyl]Propane Systematic Name
- Benzenamine, 4,4′-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis- Synonym
- Aniline, 4,4′-[isopropylidenebis(p-phenyleneoxy)]di- Synonym
- 4,4′-[(1-Methylethylidene)bis(4,1-phenyleneoxy)]bis[benzenamine] Synonym
- 2,2-Bis[p-(4-aminophenoxy)phenyl]propane Synonym
- 2,2-Bis[4-(4-aminophenoxy)phenyl]propane Synonym
- 4,4′-[Isopropylidenebis(1,4-phenylene)dioxy]dianiline Synonym
- Bisphenol A bis(4-aminophenyl) ether Synonym
- BAPP Synonym
- Cheminox CLP 5250 Synonym
- CLP 5250 Synonym
- KA 4 Synonym
- 4-[4-[2-[4-(4-Aminophenoxy)phenyl]propan-2-yl]phenoxy]benzenamine Synonym
- 4,4′-Propane-2,2-diylbis(4,1-phenyleneoxy)dianiline Synonym
- 4,4′-(4,4′-Isopropylidenediphenyl-1,1′-diyldioxy)dianiline Synonym
- Norcure 1313-50 Synonym
- [4-(4-[1-[4-(4-Aminophenoxy)phenyl]-1-methylethyl]phenoxy)phenyl]amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 410.52 g/mol | CAS Common Chemistry |
| 410.51700000000017 g/mol | RDKit | |
| 410.517 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 |
| 6.7615 | RDKit | |
| Molar Refractivity | 126.86880000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 410.199428072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 410.52 g/mol. Edit any field — others recompute live.
