Back to Search
N,N′-Diphenylmethanimidamide
CAS: 622-15-1 | C13H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
622-15-1
Molecular Formula:
C13H12N2
Molecular Mass:
196.25 g/mol
Names and Synonyms:
N,N′-Diphenylmethanimidamide
Methanimidamide, N,N′-diphenyl-
Formamidine, N,N′-diphenyl-
N,N′-Diphenylmethanimidamide
N,N′-Diphenylformamidine
Diphenylformamidine
NSC 6789
1,3-Diphenyl-1,3-diaza-1-propene
Identifiers:
SMILES:
C(=Nc1ccccc1)Nc1ccccc1
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)
Key Properties
Melting Point
142 °C
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 | 196.25 g/mol | CAS Common Chemistry |
| 196.253 g/mol | RDKit | |
| 196.100048384 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 |
| Molar Refractivity | 64.65870000000002 | RDKit |
