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28821-18-3

Basic Information
CAS No.: 28821-18-3
Name: 7-(ethylamino)-4-methyl-2-benzopyrone
Article Data: 18
Molecular Structure:
Molecular Structure of 28821-18-3 (7-(ethylamino)-4-methyl-2-benzopyrone)
Formula: C12H13 N O2
Molecular Weight: 203.241
Synonyms: Coumarin,7-(ethylamino)-4-methyl- (6CI,8CI); 4-Methyl-7-(ethylamino)coumarin;7-(Ethylamino)-4-methylcoumarin; Coumarin 445
EINECS: 249-257-2
Density: 1.188g/cm3
Melting Point: 152.0 to 156.0 °C
Boiling Point: 374.7°Cat760mmHg
Flash Point: 180.4°C
PSA: 42.24000
LogP: 2.60620
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Chemistry

Molecular Structure of 7-(Ethylamino)-4-methylcoumarin (CAS NO.28821-18-3):

IUPAC Name: 7-(Ethylamino)-4-methylchromen-2-one 
Molecular Formula: C12H13NO2
Molecular Weight: 203.24
EINECS: 249-257-2 
XLogP3: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Index of Refraction: 1.602
Molar Refractivity: 58.71 cm3
Molar Volume: 171 cm3
Surface Tension: 47.3 dyne/cm
Density: 1.188 g/cm3
Flash Point: 180.4 °C
Enthalpy of Vaporization: 62.21 kJ/mol
Boiling Point: 374.7 °C at 760 mmHg
Vapour Pressure: 8.22E-06 mmHg at 25 °C
Canonical SMILES: CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI: InChI=1S/C12H13NO2/c1-3-13-9-4-5-10-8(2)6-12(14)15-11(10)7-9/h4-7,13H,3H2,1-2H3
InChIKey: OTNIKUTWXUODJZ-UHFFFAOYSA-N

Specification

 7-(Ethylamino)-4-methylcoumarin (CAS NO.28821-18-3), its Synonyms are 7-(Ethylamino)-4-methyl-2H-1-benzopyran-2-one ; 2H-1-Benzopyran-2-one, 7-(ethylamino)-4-methyl- ; 7-(Ethylamino)-4-methyl-2-benzopyrone ; Coumarin,7-(ethylamino)-4-methyl- (6CI,8CI) ; Coumarin 445 .