7-Ethylamino-4,6-dimethylcoumarin

C₁₃H₁₅NO₂CAS 26078-25-1217.27 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₃H₁₅NO₂
Molar mass: 217.27 g/mol
Exact mass: 217.1103 Da
logP: 2.84Crippen estimate
Polar surface area: 42.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

26078-25-1

SMILES

CCNc1cc2oc(=O)cc(C)c2cc1C

InChIKey

QZXAEJGHNXJTSE-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO2/c1-4-14-11-7-12-10(5-9(11)3)8(2)6-13(15)16-12/h5-7,14H,4H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

2H-1-Benzopyran-2-one, 7-(ethylamino)-4,6-dimethyl-
Coumarin, 7-(ethylamino)-4,6-dimethyl-
7-(Ethylamino)-4,6-dimethyl-2H-1-benzopyran-2-one
4,6-Dimethyl-7-(ethylamino)coumarin
Coumarin 2
Coumarin 450
NSC 93963

Work with 7-Ethylamino-4,6-dimethylcoumarin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Methylesculetin529-84-051 % similar 6,7-Dimethoxy-4-methyl-2H-1-benzopyran-2-one4281-40-749 % similar 7-Ethoxy-4-methylcoumarin87-05-847 % similar 4-Methyl-7-diethylaminocoumarin91-44-147 % similar 4-Methylcoumarin607-71-646 % similar 6-Hydroxy-4-methylcoumarin2373-31-145 % similar 7-Amino-4-methylcoumarin26093-31-245 % similar 4-Methylumbelliferone90-33-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-(4-cyanophenyl)butanoate131379-33-4 N-Benzoyl-4-perhydroazepinone15923-40-7 (-)-Securinine5610-40-2 8-Hydroxyjulolidine-9-carboxaldehyde63149-33-7 Benzyl 5,6-dihydropyridine-1(2H)-carboxylate66207-23-6 Ethyl α-cyano-α-ethylbenzeneacetate718-71-8 4-(4-Oxocyclohexyl)benzamide73204-06-5 1-Boc-indole75400-67-8

Elsewhere

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