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Molecule
4,4′,4′′,4′′′-Methanetetrayltetrakis[Benzenamine]
CAS: 60532-63-0 · C25H24N4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 60532-63-0
- Molecular Formula
- C25H24N4
- Molecular Mass
- 380.50 g/mol
Identifiers
CAS Registry Number
60532-63-0
SMILES
Nc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChI Key
LNHGLSRCOBIHNV-UHFFFAOYSA-N
InChI
InChI=1S/C25H24N4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H,26-29H2
Names and Synonyms
- 4,4′,4′′,4′′′-Methanetetrayltetrakis[Benzenamine] Synonym
- 4,4′,4′′,4′′′-Methanetetrayltetrakis[benzenamine] Synonym
- Benzenamine, 4,4′,4′′,4′′′-methanetetrayltetrakis- Synonym
- Tetrakis(4-aminophenyl)methane Synonym
- Tetra(4-aminophenyl)methane Synonym
- Tetra(4-anilyl)methane Synonym
- Tetra(p-aminophenyl)methane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 380.50 g/mol | CAS Common Chemistry |
| 380.4950000000001 g/mol | RDKit | |
| 380.495 g/mol | RDKit | |
| Canonical SMILES | NC1=CC=C(C=C1)C(C2=CC=C(N)C=C2)(C3=CC=C(N)C=C3)C4=CC=C(N)C=C4 | CAS Common Chemistry |
| InChI | InChI=1S/C25H24N4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H,26-29H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LNHGLSRCOBIHNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 262 °C | CAS Common Chemistry |
| Name | 4,4′,4′′,4′′′-Methanetetrayltetrakis[benzenamine] | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 104.08 Ų | RDKit |
| LogP | 4.398100000000002 | RDKit |
| 4.3981 | RDKit | |
| Molar Refractivity | 122.40159999999997 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.04 | RDKit |
| Exact Mass | 380.20009676800004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 380.50 g/mol. Edit any field — others recompute live.
