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Molecule
4,4′-Diamino-3,3′-Dimethyldiphenylmethane
CAS: 838-88-0 · C15H18N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 838-88-0
- Molecular Formula
- C15H18N2
- Molecular Mass
- 226.32 g/mol
Identifiers
CAS Registry Number
838-88-0
SMILES
Cc1cc(Cc2ccc(N)c(C)c2)ccc1N
InChI Key
WECDUOXQLAIPQW-UHFFFAOYSA-N
InChI
InChI=1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3
Names and Synonyms
- 4,4′-Diamino-3,3′-Dimethyldiphenylmethane Synonym
- Benzenamine, 4,4′-methylenebis[2-methyl- Synonym
- o-Toluidine, 4,4′-methylenedi- Synonym
- 4,4′-Methylenebis[2-methylbenzenamine] Synonym
- 3,3′-Dimethyl-4,4′-diaminodiphenylmethane Synonym
- 2,2′-Dimethyl-4,4′-methylenedianiline Synonym
- 4,4′-Diamino-3,3′-dimethyldiphenylmethane Synonym
- 4,4′-Methylenedi-o-toluidine Synonym
- Bis(3-methyl-4-aminophenyl)methane Synonym
- 4,4′-Methylenebis[2-methylaniline] Synonym
- Kayahard MDT Synonym
- 4,4′-Methylenebis(o-toluidine) Synonym
- Kayabond C 100 Synonym
- Di(3-methyl-4-aminophenyl)methane Synonym
- 4,4′-Amino-3,3′-dimethyldiphenylmethane Synonym
- NSC 37146 Synonym
- Bis(4-amino-3-methylphenyl)methane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.32 g/mol | CAS Common Chemistry |
| 226.32299999999998 g/mol | RDKit | |
| 226.323 g/mol | RDKit | |
| Canonical SMILES | NC1=CC=C(C=C1C)CC2=CC=C(N)C(=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WECDUOXQLAIPQW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C | CAS Common Chemistry |
| Name | 4,4′-Diamino-3,3′-dimethyldiphenylmethane | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 3.0586400000000014 | RDKit |
| 3.0586 | RDKit | |
| Molar Refractivity | 73.98880000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 226.146998576 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 226.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H18N2.
