DAMC

C12H13NO2CAS 87-01-4203.24 g/mol

Open in Covalent MOL file
OON
Tertiary amine

Properties

Molecular formula
C12H13NO2
Molar mass
203.24 g/mol
Exact mass
203.0946 Da
Melting point
143 °C
logP
2.17Crippen estimate
Polar surface area
33.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number
87-01-4
SMILES
Cc1cc(=O)oc2cc(N(C)C)ccc12
InChIKey
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

Weigh it out

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

Names and synonyms

14 names · show all
  • 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
  • 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

Work with DAMC

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-Methyl-7-diethylaminocoumarin91-44-168 % similar 7-Amino-4-methylcoumarin26093-31-259 % similar 4-Methylumbelliferone90-33-559 % similar 4-Methylcoumarin607-71-657 % similar 7-Methoxy-4-methylcoumarin2555-28-456 % similar 7-Ethoxy-4-methylcoumarin87-05-852 % similar 4-Methylumbelliferyl acetate2747-05-950 % similar 4-Methylesculetin529-84-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol103788-65-4 Indole-3-butyric acid133-32-4 N-Butylphthalimide1515-72-6 Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-3 1-Benzoyl-4-piperidone24686-78-0 Benzyl 3-pyrroline-1-carboxylate31970-04-4 Ethyl 1H-indole-3-acetate778-82-5 N-(5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide88611-67-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook