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Diphenylguanidine
CAS: 102-06-7 | C13H13N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102-06-7
Molecular Formula:
C13H13N3
Molecular Mass:
211.27 g/mol
Names and Synonyms:
Diphenylguanidine
1,3-Diphenylguanidine
DPG
Melaniline
Vulkazit
1,2-Diphenylguanidine
Denax
DFG
Vulcafor DPG
Vulkacit D
Guanidine, N,N′-diphenyl-
Guanidine, 1,3-diphenyl-
N,N′-Diphenylguanidine
sym-Diphenylguanidine
Diphenylguanidine
Accelerator D
Nocceler D
Denax DPG
Soxinol D
Chlorostain BR
Rhenogran DPG
Accel DM-R
Sanceler D
Vanax DPG
Perkacit DP
Rhenogran DPG 80P
Sanceler D-G
Vulkacit D/C
Accel D
Perkacit DPG
NSC 3272
Soxinol DG
Rhenogran DPG 80
Oricel D
Vulkacit D/EG-C
DPG 75
Guanid F
Rhenocure DPG
Accelerator BR
Accelerator DPG
DPG 80
Nocceler D-P
D 80
Identifiers:
SMILES:
N=C(Nc1ccccc1)Nc1ccccc1
InChI:
InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
Key Properties
Boiling Point
170 °C
CAS Common Chemistry
Melting Point
150 °C
CAS Common Chemistry
Density
1.19 g/cm³
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 | 211.27 g/mol | CAS Common Chemistry |
| 211.268 g/mol | RDKit | |
| 211.110947416 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.19 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 170 °C | CAS Common Chemistry |
| Canonical SMILES | N=C(NC=1C=CC=CC1)NC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=OWRCNXZUPFZXOS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150 °C | CAS Common Chemistry |
| Name | Diphenylguanidine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 47.910000000000004 Ų | RDKit |
| LogP | 3.1453700000000007 | RDKit |
| Molar Refractivity | 67.85610000000003 | RDKit |
