- InChI
- InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3
- InChI Key
- AFYCEAFSNDLKSX-UHFFFAOYSA-N
- Formula
- C14H17NO2
- SMILES
- CCN(CC)c1ccc2c(C)cc(=O)oc2c1
- Molecular Weight1
- 231.29
- CAS
- 91-44-1
- Other Names
-
- 4-Methyl-7-(diethylamino)coumarin
- 7-(Diethylamino)-4-methyl-2H-1-benzopyran-2-one
- 7-(Diethylamino)-4-methylcoumarin
- 7-(diethylamino)-4-methyl-2-benzopyrone
- 7-diethylamino-4-methylchromen-2-one
- 7D4MC
- Aclarat 8678
- Blancophor AW
- Blancophor FFG
- C 47
- Calcofluor White RW
- Calcofluor White SD
- Coumarin 1
- Coumarin 460
- Coumarin 47
- Coumarin, 7-(diethylamino)-4-methyl-
- Hakkol P
- MDAC
- NSC 61830
- Uvitex WGS
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 7.38 | eV | NIST |
| log10WS | -4.00 | Aq. Sol... | |
| logPoct/wat | 2.948 | Crippen Calculated Property | |
| McVol | 186.620 | ml/mol | McGowan Calculated Property |
| Tfus | [344.39; 344.85] | K |
|
| Tfus | 344.39 ± 0.30 | K | NIST |
| Tfus | 344.85 ± 0.20 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 17.88 | kJ/mol | 343.80 | NIST |
| ΔfusS | 46.26 | J/mol×K | 343.80 | NIST |
Similar Compounds
Find more compounds similar to 2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-.
Sources
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