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Molecule
4-(Dicyanomethylene)-2-Methyl-6-(P-Dimethylaminostyryl)-4H-Pyran
CAS: 51325-91-8 · C19H17N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51325-91-8
- Molecular Formula
- C19H17N3O
- Molecular Mass
- 303.36 g/mol
Identifiers
CAS Registry Number
51325-91-8
SMILES
CC1=CC(=C(C#N)C#N)C=C(C=Cc2ccc(N(C)C)cc2)O1
InChI Key
YLYPIBBGWLKELC-UHFFFAOYSA-N
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
Names and Synonyms
- 4-(Dicyanomethylene)-2-Methyl-6-(P-Dimethylaminostyryl)-4H-Pyran Systematic Name
- Propanedinitrile, 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-4H-pyran-4-ylidene]- Synonym
- Propanedinitrile, [2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-4H-pyran-4-ylidene]- Synonym
- 4H-Pyran-Δ4,α-malononitrile, 2-(p-dimethylaminostyryl)-6-methyl- Synonym
- 2-[2-[2-[4-(Dimethylamino)phenyl]ethenyl]-6-methyl-4H-pyran-4-ylidene]propanedinitrile Synonym
- DCM (dye) Synonym
- 4-Dicyanomethylene-6-(p-dimethylaminostyryl)-2-methyl-4H-pyran Synonym
- DCM 1 Synonym
- 4-(Dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran Synonym
- 4-(Dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran Synonym
- NK 3502 Synonym
- DCM-LC 6500 Synonym
- DCM 650 Synonym
- (4-(Dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.36 g/mol | CAS Common Chemistry |
| 303.36500000000007 g/mol | RDKit | |
| 303.365 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 |
| 3.9275 | RDKit | |
| Molar Refractivity | 90.98000000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1579 | RDKit |
| 0.16 | chempirical lib | |
| Exact Mass | 303.137162164 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 303.36 g/mol. Edit any field — others recompute live.
