AG00DCJU

51473-74-6 | 3-CYANO-7-(DIETHYLAMINO)COUMARIN

AG00DCJU

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CAS Number	51473-74-6
Catalog Number	AG00DCJU(AGN-PC-0JUYUP)
Chemical Name	3-CYANO-7-(DIETHYLAMINO)COUMARIN
IUPAC Name	7-(diethylamino)-2-oxochromene-3-carbonitrile
InChI	InChI=1S/C14H14N2O2/c1-3-16(4-2)12-6-5-10-7-11(9-15)14(17)18-13(10)8-12/h5-8H,3-4H2,1-2H3
InChI Key	LOUYEVRVQGFIFB-UHFFFAOYSA-N
MDL Number	MFCD00068688
Molecular Formula	C14H14N2O2
Molecular Weight	242.2732
SMILES	O=C1OC2=C(C=CC(N(CC)CC)=C2)C=C1C#N
Synonyms	51473-74-6, 3-CYANO-7-(DIETHYLAMINO)COUMARIN, 7-(diethylamino)-2-oxochromene-3-carbonitrile, 7-(diethylamino)-2-oxo-2H-chromene-3-carbonitrile, 7-(Diethylamino)coumarin-3-carbonitrile, MLS000711927, SMR000281694, AC1LEN49, Oprea1_330834, Oprea1_417770, cid_688937, IFLab1_001303, SCHEMBL6282516, CHEMBL1596400, BDBM52574, CTK4J4302, ZINC58015, DTXSID60350997, CHEBI:120788, LOUYEVRVQGFIFB-UHFFFAOYSA-N, HMS1415L05, HMS2659P17, MFCD00068688, STL303916, AKOS000589036, MCULE-8900881431, ACM51473746, IDI1_009170, BAS 00231845, OR345580, CS-0061510, D4462, ST50299217, 7-(diethylamino)-2-keto-chromene-3-carbonitrile, 7-Diethylamino-2-oxo-2H-chromene-3-carbonitrile, 3-Cyano-7-(diethylamino)-2H-1-benzopyran-2-one, SR-01000319824, 7-(diethylamino)-2-oxo-1-benzopyran-3-carbonitrile, SR-01000319824-1, 7-(diethylamino)-2-oxidanylidene-chromene-3-carbonitrile, 2H-1-Benzopyran-3-carbonitrile, 7-(diethylamino)-2-oxo-, CID688937, ZINC00058015,

Complexity	403
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.106g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.278g/mol
Monoisotopic Mass	242.106g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
UN Code

Certificate of Analysis

Lot Number