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N,N′,N′′-Triphenylguanidine
CAS: 101-01-9 | C19H17N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-01-9
Molecular Formula:
C19H17N3
Molecular Mass:
287.37 g/mol
Names and Synonyms:
N,N′,N′′-Triphenylguanidine
Guanidine, N,N′,N′′-triphenyl-
Guanidine, 1,2,3-triphenyl-
N,N′,N′′-Triphenylguanidine
1,2,3-Triphenylguanidine
N,N′,N′′-Triphenylguanidine
sym-Triphenylguanidine
NSC 4051
Identifiers:
SMILES:
c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1
InChI:
InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)
Key Properties
Melting Point
146.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 287.37 g/mol | CAS Common Chemistry |
| 287.36600000000004 g/mol | RDKit | |
| 287.14224754400004 g/mol | RDKit | |
| Canonical SMILES | N(C=1C=CC=CC1)=C(NC=2C=CC=CC2)NC=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=FUPAJKKAHDLPAZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 146.5 °C | CAS Common Chemistry |
| Name | N,N′,N′′-Triphenylguanidine | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 36.42 Ų | RDKit |
| LogP | 4.8983000000000025 | RDKit |
| Molar Refractivity | 93.66640000000002 | RDKit |
