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Damc
CAS: 87-01-4 | C12H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
87-01-4
Molecular Formula:
C12H13NO2
Molecular Mass:
203.24 g/mol
Names and Synonyms:
Damc
2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl-
Coumarin, 7-(dimethylamino)-4-methyl-
7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one
7-(Dimethylamino)-4-methylcoumarin
4-Methyl-7-(dimethylamino)coumarin
DAMC
Coumarin 311
Calcofluor White LD
7-N,N-Dimethylamino-4-methylcoumarin
Coumarin 461
Fluorescent Brightener 130
C.I. 551101
C.I. Fluorescent Brightener 130
Brighter 63
NSC 408145
Identifiers:
SMILES:
Cc1cc(=O)oc2cc(N(C)C)ccc12
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
Key Properties
Melting Point
143 °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 | 203.24 g/mol | CAS Common Chemistry |
| 203.24099999999999 g/mol | RDKit | |
| 203.094628656 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 |
| Molar Refractivity | 61.54800000000003 | RDKit |
