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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 Weight:
211.268 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)
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 | 211.27 g/mol | Legacy Database |
| density | 1.19 g/cm³ | Legacy Database |
| cas-boiling-point | 170 °C None | Legacy Database |
| cas-canonical-smile | N=C(NC=1C=CC=CC1)NC=2C=CC=CC2 None | Legacy Database |
| cas-density | 1.19 g/cm3 None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=OWRCNXZUPFZXOS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 150 °C None | Legacy Database |
| cas-name | Diphenylguanidine None | Legacy Database |
| LogP | 3.1453700000000007 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 211.268 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 211.110947416 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 16 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 47.910000000000004 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 67.85610000000003 | RDKit |
