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Di-O-Tolylguanidine
CAS: 97-39-2 | C15H17N3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
97-39-2
Molecular Formula:
C15H17N3
Molecular Mass:
239.32 g/mol
Names and Synonyms:
Di-O-Tolylguanidine
Guanidine, N,N′-bis(2-methylphenyl)-
Guanidine, 1,3-di-o-tolyl-
N,N′-Bis(2-methylphenyl)guanidine
1,3-Bis(o-tolyl)guanidine
Di-o-tolylguanidine
N,N′-Di-o-tolylguanidine
DOTG
Eveite DOTG
Vulkacit DOTG
N,N′-Di-o-toluylguanidine
1,3-Di-o-tolylguanidine
Nocceler DT
1,3-Di-2-tolylguanidine
DTG
CNS 1001
Soxinol DT
Sanceler DT
Vulcafor DOTG
Akrochem DOTG
1,3-Di-ortho-tolylguanidine
NSC 132023
NSC 473
Rhenogran DOTG 70
1,2-Bis(2-methylphenyl)guanidine
Identifiers:
SMILES:
Cc1ccccc1NC(=N)Nc1ccccc1C
InChI:
InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
Key Properties
Melting Point
179 °C
CAS Common Chemistry
Density
1.10 g/cm³
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 | 239.32 g/mol | CAS Common Chemistry |
| 239.32200000000003 g/mol | RDKit | |
| 239.14224754399999 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.10 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | N=C(NC=1C=CC=CC1C)NC=2C=CC=CC2C | CAS Common Chemistry |
| InChI | InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=OPNUROKCUBTKLF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 179 °C | CAS Common Chemistry |
| Name | Di-o-tolylguanidine | CAS Common Chemistry |
| Heavy Atom Count | 18 | 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 |
| LogP | 3.7622100000000014 | RDKit |
| Molar Refractivity | 77.33010000000003 | RDKit |
