Back to Search
Molecule
M-Phenylenediamine
CAS: 108-45-2 · C6H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 108-45-2
- Molecular Formula
- C6H8N2
- Molecular Mass
- 108.14 g/mol
Identifiers
CAS Registry Number
108-45-2
SMILES
Nc1cccc(N)c1
InChI Key
WZCQRUWWHSTZEM-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
Names and Synonyms
- M-Phenylenediamine Synonym
- 1,3-Benzenediamine Synonym
- m-Phenylenediamine Synonym
- C.I. Developer 11 Synonym
- Developer C Synonym
- Developer H Synonym
- m-Diaminobenzene Synonym
- Direct Brown BR Synonym
- Developer M Synonym
- 1,3-Diaminobenzene Synonym
- Direct Brown GG Synonym
- m-Aminoaniline Synonym
- 1,3-Phenylenediamine Synonym
- m-Benzenediamine Synonym
- 3-Aminoaniline Synonym
- NSC 4776 Synonym
- 1,3-Diaminophenylene Synonym
- RT 30H Synonym
- MPDA Synonym
- Maleid F Synonym
- KC 16765 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.14 g/mol | CAS Common Chemistry |
| 108.144 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.14 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/M-Phenylenediamine | CAS Common Chemistry |
| Boiling Point | 284-287 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=CC(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WZCQRUWWHSTZEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62-63 °C | CAS Common Chemistry |
| Name | m-Phenylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 0.851 | RDKit |
| Molar Refractivity | 35.2668 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 108.06874825599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 108.14 g/mol; density = 1.140 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8N2.
