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Molecule
Color Developing Agent 1
CAS: 93-05-0 · C10H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 93-05-0
- Molecular Formula
- C10H16N2
- Molecular Mass
- 164.25 g/mol
Identifiers
CAS Registry Number
93-05-0
SMILES
CCN(CC)c1ccc(N)cc1
InChI Key
QNGVNLMMEQUVQK-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
Names and Synonyms
- Color Developing Agent 1 Synonym
- 1,4-Benzenediamine, N1,N1-diethyl- Synonym
- p-Phenylenediamine, N,N-diethyl- Synonym
- 1,4-Benzenediamine, N,N-diethyl- Synonym
- N1,N1-Diethyl-1,4-benzenediamine Synonym
- N,N-Diethyl-p-phenylenediamine Synonym
- p-(Diethylamino)aniline Synonym
- p-Amino-N,N-diethylaniline Synonym
- N,N-Diethyl-4-aminoaniline Synonym
- 4-(Diethylamino)aniline Synonym
- DPD Synonym
- N,N-Diethyl-1,4-benzenediamine Synonym
- N,N-Diethyl-1,4-phenylenediamine Synonym
- PPD 89 Synonym
- 4-Amino-N,N-diethylaniline Synonym
- 4-(N,N-Diethylamino)aniline Synonym
- NSC 147488 Synonym
- 4-(Diethylamino)phenylamine Synonym
- 1-N,1-N-Diethylbenzene-1,4-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.25 g/mol | CAS Common Chemistry |
| 164.25199999999998 g/mol | RDKit | |
| 164.252 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.988 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Color_Developing_Agent_1 | CAS Common Chemistry |
| Boiling Point | 260-262 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C(C=C1)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QNGVNLMMEQUVQK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144 °C | CAS Common Chemistry |
| Name | N,N-Diethyl-p-phenylenediamine | CAS Common Chemistry |
| Color Developing Agent 1 | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 2.115 | RDKit |
| 2.11 | chempirical lib | |
| Molar Refractivity | 54.415400000000034 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 164.131348512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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
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MW = 164.25 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16N2.
