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Dimethyl-4-Phenylenediamine
CAS: 99-98-9 | C8H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-98-9
Molecular Formula:
C8H12N2
Molecular Weight:
136.19799999999998 g/mol
Names and Synonyms:
Dimethyl-4-Phenylenediamine
1,4-Benzenediamine, N1,N1-dimethyl-
p-Phenylenediamine, N,N-dimethyl-
1,4-Benzenediamine, N,N-dimethyl-
N1,N1-Dimethyl-1,4-benzenediamine
C.I. 76075
p-Aminodimethylaniline
N,N-Dimethyl-p-phenylenediamine
Dimethyl-p-phenylenediamine
p-Amino-N,N-dimethylaniline
4-(Dimethylamino)aniline
p-(Dimethylamino)aniline
N,N-Dimethyl-1,4-benzenediamine
p-(Dimethylamino)phenylamine
4-Amino-N,N-dimethylaniline
DMPD
N,N-Dimethyl-1,4-phenylenediamine
N,N-Dimethyl-p-benzenediamine
N,N-Dimethyl-1,4-diaminobenzene
1-Amino-4-(dimethylamino)benzene
4-(Dimethylamino)benzenamine
4-(N,N-Dimethylamino)aniline
[4-(Dimethylamino)phenyl]amine
4-(N,N-Dimethylamino)phenylamine
NSC 1493
N-(4-Aminophenyl)-N,N-dimethylamine
(4-Aminophenyl)dimethylamine
1-N,1-N-Dimethylbenzene-1,4-diamine
4-Amino-1-(dimethylamino)benzene
Identifiers:
SMILES:
CN(C)c1ccc(N)cc1
InChI:
InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 136.20 g/mol | Legacy Database |
| density | 1.04 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethyl-4-phenylenediamine None | Legacy Database |
| cas-boiling-point | 262 °C None | Legacy Database |
| cas-canonical-smile | NC1=CC=C(C=C1)N(C)C None | Legacy Database |
| cas-density | 1.036 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BZORFPDSXLZWJF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 53 °C None | Legacy Database |
| cas-name | N,N-Dimethyl-p-phenylenediamine None | Legacy Database |
| wikipedia-name | Dimethyl-4-phenylenediamine None | Legacy Database |
| LogP | 1.3348 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 136.19799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.100048384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.18140000000002 | RDKit |
