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Molecule
Guanid F
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
Identifiers
CAS Registry Number
102-06-7
SMILES
N=C(Nc1ccccc1)Nc1ccccc1
InChI Key
OWRCNXZUPFZXOS-UHFFFAOYSA-N
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)
Names and Synonyms
- Guanid F Synonym
- Diphenylguanidine Synonym
- 1,3-Diphenylguanidine Synonym
- DPG Synonym
- Melaniline Synonym
- Vulkazit Synonym
- 1,2-Diphenylguanidine Synonym
- Denax Synonym
- DFG Synonym
- Vulcafor DPG Synonym
- Vulkacit D Synonym
- Guanidine, N,N′-diphenyl- Synonym
- Guanidine, 1,3-diphenyl- Synonym
- N,N′-Diphenylguanidine Synonym
- sym-Diphenylguanidine Synonym
- Diphenylguanidine Synonym
- Accelerator D Synonym
- Nocceler D Synonym
- Denax DPG Synonym
- Soxinol D Synonym
- Chlorostain BR Synonym
- Rhenogran DPG Synonym
- Accel DM-R Synonym
- Sanceler D Synonym
- Vanax DPG Synonym
- Perkacit DP Synonym
- Rhenogran DPG 80P Synonym
- Sanceler D-G Synonym
- Vulkacit D/C Synonym
- Accel D Synonym
- Perkacit DPG Synonym
- NSC 3272 Synonym
- Soxinol DG Synonym
- Rhenogran DPG 80 Synonym
- Oricel D Synonym
- Vulkacit D/EG-C Synonym
- DPG 75 Synonym
- Rhenocure DPG Synonym
- Accelerator BR Synonym
- Accelerator DPG Synonym
- DPG 80 Synonym
- Nocceler D-P Synonym
- D 80 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.27 g/mol | CAS Common Chemistry |
| 211.268 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 |
| 47.91 Ų | RDKit | |
| LogP | 3.1453700000000007 | RDKit |
| 3.1454 | RDKit | |
| Molar Refractivity | 67.85610000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 211.110947416 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 211.27 g/mol; density = 1.190 g/mL. Edit any field — others recompute live.
