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Molecule
Damc
CAS: 87-01-4 · C12H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 87-01-4
- Molecular Formula
- C12H13NO2
- Molecular Mass
- 203.24 g/mol
Identifiers
CAS Registry Number
87-01-4
SMILES
Cc1cc(=O)oc2cc(N(C)C)ccc12
InChI Key
GZEYLLPOQRZUDF-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO2/c1-8-6-12(14)15-11-7-9(13(2)3)4-5-10(8)11/h4-7H,1-3H3
Names and Synonyms
- Damc Common Name
- 2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl- Synonym
- Coumarin, 7-(dimethylamino)-4-methyl- Synonym
- 7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one Synonym
- 7-(Dimethylamino)-4-methylcoumarin Synonym
- 4-Methyl-7-(dimethylamino)coumarin Synonym
- DAMC Synonym
- Coumarin 311 Synonym
- Calcofluor White LD Synonym
- 7-N,N-Dimethylamino-4-methylcoumarin Synonym
- Coumarin 461 Synonym
- Fluorescent Brightener 130 Synonym
- C.I. 551101 Synonym
- C.I. Fluorescent Brightener 130 Synonym
- Brighter 63 Synonym
- NSC 408145 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.24 g/mol | CAS Common Chemistry |
| 203.24099999999999 g/mol | RDKit | |
| 203.241 g/mol | RDKit | |
| Canonical SMILES | O=C1OC=2C=C(C=CC2C(=C1)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H13NO2/c1-8-6-12(14)15-11-7-9(13(2)3)4-5-10(8)11/h4-7H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GZEYLLPOQRZUDF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 143 °C | CAS Common Chemistry |
| Name | DAMC | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 33.45 Ų | RDKit |
| LogP | 2.16742 | RDKit |
| 2.1674 | RDKit | |
| Molar Refractivity | 61.54800000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 203.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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100
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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.
External Resources
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MW = 203.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H13NO2.
