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4-(Dicyanomethylene)-2-Methyl-6-(P-Dimethylaminostyryl)-4H-Pyran
CAS: 51325-91-8 | C19H17N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51325-91-8
Molecular Formula:
C19H17N3O
Molecular Mass:
303.36 g/mol
Names and Synonyms:
4-(Dicyanomethylene)-2-Methyl-6-(P-Dimethylaminostyryl)-4H-Pyran
Propanedinitrile, 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-4H-pyran-4-ylidene]-
Propanedinitrile, [2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-4H-pyran-4-ylidene]-
4H-Pyran-Δ4,α-malononitrile, 2-(p-dimethylaminostyryl)-6-methyl-
2-[2-[2-[4-(Dimethylamino)phenyl]ethenyl]-6-methyl-4H-pyran-4-ylidene]propanedinitrile
DCM (dye)
4-Dicyanomethylene-6-(p-dimethylaminostyryl)-2-methyl-4H-pyran
DCM 1
4-(Dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran
4-(Dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran
NK 3502
DCM-LC 6500
DCM 650
(4-(Dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran)
Identifiers:
SMILES:
CC1=CC(=C(C#N)C#N)C=C(C=Cc2ccc(N(C)C)cc2)O1
InChI:
InChI=1S/C19H17N3O/c1-14-10-16(17(12-20)13-21)11-19(23-14)9-6-15-4-7-18(8-5-15)22(2)3/h4-11H,1-3H3
Key Properties
Melting Point
227 °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 | 303.36 g/mol | CAS Common Chemistry |
| 303.36500000000007 g/mol | RDKit | |
| 303.137162164 g/mol | RDKit | |
| Canonical SMILES | N#CC(C#N)=C1C=C(OC(=C1)C)C=CC2=CC=C(C=C2)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H17N3O/c1-14-10-16(17(12-20)13-21)11-19(23-14)9-6-15-4-7-18(8-5-15)22(2)3/h4-11H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YLYPIBBGWLKELC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 227 °C | CAS Common Chemistry |
| Name | 4-(Dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 60.05 Ų | RDKit |
| LogP | 3.9274600000000026 | RDKit |
| Molar Refractivity | 90.98000000000002 | RDKit |
