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Molecule
N,N′-Diphenylmethanimidamide
CAS: 622-15-1 · C13H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 622-15-1
- Molecular Formula
- C13H12N2
- Molecular Mass
- 196.25 g/mol
Identifiers
CAS Registry Number
622-15-1
SMILES
C(=Nc1ccccc1)Nc1ccccc1
InChI Key
ZQUVDXMUKIVNOW-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-11H,(H,14,15)
Names and Synonyms
- N,N′-Diphenylmethanimidamide Synonym
- Methanimidamide, N,N′-diphenyl- Synonym
- Formamidine, N,N′-diphenyl- Synonym
- N,N′-Diphenylmethanimidamide Synonym
- N,N′-Diphenylformamidine Synonym
- Diphenylformamidine Synonym
- NSC 6789 Synonym
- 1,3-Diphenyl-1,3-diaza-1-propene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.25 g/mol | CAS Common Chemistry |
| 196.253 g/mol | RDKit | |
| Canonical SMILES | N(=CNC=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-11H,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=ZQUVDXMUKIVNOW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142 °C | CAS Common Chemistry |
| Name | N,N′-Diphenylmethanimidamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | 3.4585000000000017 | RDKit |
| 3.4585 | RDKit | |
| Molar Refractivity | 64.65870000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 196.100048384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 196.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12N2.
