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4,4′-Methylenebis(2,6-Dimethylaniline)
CAS: 4073-98-7 | C17H22N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4073-98-7
Molecular Formula:
C17H22N2
Molecular Mass:
254.38 g/mol
Names and Synonyms:
4,4′-Methylenebis(2,6-Dimethylaniline)
Benzenamine, 4,4′-methylenebis[2,6-dimethyl-
2,6-Xylidine, 4,4′-methylenedi-
4,4′-Methylenebis[2,6-dimethylbenzenamine]
4,4′-Methylenedi-2,6-xylidine
4,4′-Methylenebis(2,6-dimethylaniline)
4,4′-Methylenebis(2,6-xylidine)
3,3′,5,5′-Tetramethyl-4,4′-diaminodiphenylmethane
Kayabond C 200
Kayabond C 200S
C 200S
3,3′,5,5′-Tetramethyl-4,4′-methylene dianiline
Bis(4-amino-3,5-dimethylphenyl)methane
Identifiers:
SMILES:
Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N
InChI:
InChI=1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3
Key Properties
Melting Point
122.5-123.5 °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 | 254.38 g/mol | CAS Common Chemistry |
| 254.37699999999998 g/mol | RDKit | |
| 254.17829870399999 g/mol | RDKit | |
| Canonical SMILES | NC=1C(=CC(=CC1C)CC=2C=C(C(N)=C(C2)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OMHOXRVODFQGCA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 122.5-123.5 °C | CAS Common Chemistry |
| Name | 4,4′-Methylenebis(2,6-dimethylaniline) | CAS Common Chemistry |
| Heavy Atom Count | 19 | 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 | 3.675480000000002 | RDKit |
| Molar Refractivity | 83.46280000000003 | RDKit |
