Back to Search
4,4′-Diamino-3,3′-Dimethyldiphenylmethane
CAS: 838-88-0 | C15H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
838-88-0
Molecular Formula:
C15H18N2
Molecular Mass:
226.32 g/mol
Names and Synonyms:
4,4′-Diamino-3,3′-Dimethyldiphenylmethane
Benzenamine, 4,4′-methylenebis[2-methyl-
o-Toluidine, 4,4′-methylenedi-
4,4′-Methylenebis[2-methylbenzenamine]
3,3′-Dimethyl-4,4′-diaminodiphenylmethane
2,2′-Dimethyl-4,4′-methylenedianiline
4,4′-Diamino-3,3′-dimethyldiphenylmethane
4,4′-Methylenedi-o-toluidine
Bis(3-methyl-4-aminophenyl)methane
4,4′-Methylenebis[2-methylaniline]
Kayahard MDT
4,4′-Methylenebis(o-toluidine)
Kayabond C 100
Di(3-methyl-4-aminophenyl)methane
4,4′-Amino-3,3′-dimethyldiphenylmethane
NSC 37146
Bis(4-amino-3-methylphenyl)methane
Identifiers:
SMILES:
Cc1cc(Cc2ccc(N)c(C)c2)ccc1N
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
Key Properties
Melting Point
158 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 | 226.32 g/mol | CAS Common Chemistry |
| 226.32299999999998 g/mol | RDKit | |
| 226.146998576 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 |
| Molar Refractivity | 73.98880000000003 | RDKit |
