Cyclopenta[c][1]benzopyran-4(1H)-one, 7-(dimethylamino)-2,3-dihydro-

Base Information

• Chemical Name: Cyclopenta[c][1]benzopyran-4(1H)-one, 7-(dimethylamino)-2,3-dihydro-
• CAS No.: 62669-74-3
• Molecular Formula: C14H15 N O2
• Molecular Weight: 229.27
• European Community (EC) Number: 633-101-9
• NSC Number: 315247
• UNII: PFA9H1AI52
• DSSTox Substance ID: DTXSID5069621
• Nikkaji Number: J1.726.595D,J429.473D
• Wikidata: Q72461574
• ChEMBL ID: CHEMBL1967615
• Mol file: 62669-74-3.mol

Synonyms:Coumarin 138;62669-74-3;7-(Dimethylamino)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one;Cyclopenta[c][1]benzopyran-4(1H)-one, 7-(dimethylamino)-2,3-dihydro-;7-(dimethylamino)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;NSC315247;PFA9H1AI52;7-Dimethylaminocyclopenta(C)coumarin;NSC 315247;NSC-315247;Cyclopenta(c)(1)benzopyran-4(1H)-one, 7-(dimethylamino)-2,3-dihydro-;COUMARIN-138;UNII-PFA9H1AI52;SCHEMBL194522;CHEMBL1967615;DTXSID5069621;AKOS024307423;NCI60_002712;Cyclopenta[c][1]benzopyran-4(1H)-one,3-dihydro-;7-(Dimethylamino)-3,4-(trimethylene)-2H-1-benzopyran-2-one;7-(Dimethylamino)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one #;{Cyclopenta[c][1]benzopyran-4(1H)-one,} 7-(dimethylamino)-2,3-dihydro-;7-(DIMETHYLAMINO)-2,3-DIHYDROCYCLOPENTA(C)(1)BENZOPYRAN-4(1H)-ONE;Benzenepropanamine, .gamma.-(ethylsulfonyl)-N,N,.alpha.-trimethyl-.gamma.-phenyl-, hydrochloride, (-)-

Chemical Property of Cyclopenta[c][1]benzopyran-4(1H)-one, 7-(dimethylamino)-2,3-dihydro-

Chemical Property:

• Vapor Pressure: 1.79E-07mmHg at 25°C
• Melting Point: 153°C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 426.3°C at 760 mmHg
• PKA: 3.78±0.20(Predicted)
• Flash Point: 173.9°C
• PSA: 33.45000
• Density: 1.23g/cm³
• LogP: 2.34770
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 229.110278721
• Heavy Atom Count: 17
• Complexity: 372

Purity/Quality:

98%min ^*data from raw suppliers

Coumarin 138 Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2