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Molecule
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 Mass
- 136.20 g/mol
Identifiers
CAS Registry Number
99-98-9
SMILES
CN(C)c1ccc(N)cc1
InChI Key
BZORFPDSXLZWJF-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
Names and Synonyms
- Dimethyl-4-Phenylenediamine Synonym
- 1,4-Benzenediamine, N1,N1-dimethyl- Synonym
- p-Phenylenediamine, N,N-dimethyl- Synonym
- 1,4-Benzenediamine, N,N-dimethyl- Synonym
- N1,N1-Dimethyl-1,4-benzenediamine Synonym
- C.I. 76075 Synonym
- p-Aminodimethylaniline Synonym
- N,N-Dimethyl-p-phenylenediamine Synonym
- Dimethyl-p-phenylenediamine Synonym
- p-Amino-N,N-dimethylaniline Synonym
- 4-(Dimethylamino)aniline Synonym
- p-(Dimethylamino)aniline Synonym
- N,N-Dimethyl-1,4-benzenediamine Synonym
- p-(Dimethylamino)phenylamine Synonym
- 4-Amino-N,N-dimethylaniline Synonym
- DMPD Synonym
- N,N-Dimethyl-1,4-phenylenediamine Synonym
- N,N-Dimethyl-p-benzenediamine Synonym
- N,N-Dimethyl-1,4-diaminobenzene Synonym
- 1-Amino-4-(dimethylamino)benzene Synonym
- 4-(Dimethylamino)benzenamine Synonym
- 4-(N,N-Dimethylamino)aniline Synonym
- [4-(Dimethylamino)phenyl]amine Synonym
- 4-(N,N-Dimethylamino)phenylamine Synonym
- NSC 1493 Synonym
- N-(4-Aminophenyl)-N,N-dimethylamine Synonym
- (4-Aminophenyl)dimethylamine Synonym
- 1-N,1-N-Dimethylbenzene-1,4-diamine Synonym
- 4-Amino-1-(dimethylamino)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.20 g/mol | CAS Common Chemistry |
| 136.19799999999998 g/mol | RDKit | |
| 136.198 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.036 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyl-4-phenylenediamine | CAS Common Chemistry |
| Boiling Point | 262 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C(C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BZORFPDSXLZWJF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 53 °C | CAS Common Chemistry |
| Name | N,N-Dimethyl-p-phenylenediamine | CAS Common Chemistry |
| Dimethyl-4-phenylenediamine | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 1.3348 | RDKit |
| 1.33 | chempirical lib | |
| Molar Refractivity | 45.18140000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 136.100048384 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
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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.
External Resources
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MW = 136.20 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12N2.
