Back to Search
C,C′-[Methylenebis(2,6-Dimethyl-4,1-Phenylene)] Dicyanate
CAS: 101657-77-6 | C19H18N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101657-77-6
Molecular Formula:
C19H18N2O2
Molecular Mass:
306.36 g/mol
Names and Synonyms:
C,C′-[Methylenebis(2,6-Dimethyl-4,1-Phenylene)] Dicyanate
Cyanic acid, C,C′-[methylenebis(2,6-dimethyl-4,1-phenylene)] ester
Cyanic acid, methylenebis(2,6-dimethyl-4,1-phenylene) ester
C,C′-[Methylenebis(2,6-dimethyl-4,1-phenylene)] dicyanate
AroCy M 10
AroCy RDX 64833
Bis(4-cyanato-3,5-dimethylphenyl)methane
Bis(3,5-dimethyl-4-cyanatophenyl)methane
AroCy M 50
AroCy M 40S
AroCy M 30
AroCy M 20
M 10
M 20
M 30
4,4′-Methylenebis(2,6-dimethylphenyl) dicyanate
4,4′-Methylenebis(2,6-dimethylphenyl cyanate)
Primaset MethylCy
Identifiers:
SMILES:
Cc1cc(Cc2cc(C)c(OC#N)c(C)c2)cc(C)c1OC#N
InChI:
InChI=1S/C19H18N2O2/c1-12-5-16(6-13(2)18(12)22-10-20)9-17-7-14(3)19(23-11-21)15(4)8-17/h5-8H,9H2,1-4H3
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 | 306.36 g/mol | CAS Common Chemistry |
| 306.36500000000007 g/mol | RDKit | |
| 306.136827816 g/mol | RDKit | |
| Canonical SMILES | N#COC=1C(=CC(=CC1C)CC=2C=C(C(OC#N)=C(C2)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H18N2O2/c1-12-5-16(6-13(2)18(12)22-10-20)9-17-7-14(3)19(23-11-21)15(4)8-17/h5-8H,9H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JNCRKOQSRHDNIO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | C,C′-[Methylenebis(2,6-dimethyl-4,1-phenylene)] dicyanate | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.03999999999999 Ų | RDKit |
| LogP | 4.230840000000003 | RDKit |
| Molar Refractivity | 87.12000000000005 | RDKit |
