AG00I81B

41044-12-6 | 7-(Diethylamino)-3-(1-methyl-1,3-benzodiazol-2-yl)chromen-2-one

AG00I81B

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CAS Number	41044-12-6
Catalog Number	AG00I81B(AGN-PC-0RPTHD)
Chemical Name	7-(Diethylamino)-3-(1-methyl-1,3-benzodiazol-2-yl)chromen-2-one
EC Number	255-186-8
IUPAC Name	7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
InChI	InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
InChI Key	KZFUMWVJJNDGAU-UHFFFAOYSA-N
MDL Number	MFCD00051349
Molecular Formula	C21H21N3O2
Molecular Weight	347.4103
NSC Number	290433
SMILES	O=C1C(C2=NC3=CC=CC=C3N2C)=CC4=C(O1)C=C(N(CC)CC)C=C4
Synonyms	Coumarin 30, 41044-12-6, 7-(diethylamino)-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-2H-chromen-2-one, 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-, CCRIS 4959, EINECS 255-186-8, NSC290433, NSC 290433, 7-(Diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2H-chromen-2-one, MLS000106045, MLS002702129, 3-(2-N-Methylbenzimidazolyl)-7-N,N-diethylaminocoumarin, 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one, 7-(Diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2-benzopyrone, SMR000103016, Coumarin 515, AC1L2OJV, ChemDiv2_003295, AC1Q69VT, Oprea1_444456, Oprea1_613472, CBDivE_006016, SCHEMBL457303, cid_100335, CHEMBL1520346, DTXSID6068272, BDBM79817, HMS1378F17, HMS2466I04, REGID_FOR_CID_100335, ZINC275242, Coumarin 30, Dye content 99 %, BBL028026, MFCD00051349, SBB059432, STK996890, AKOS000505564, CID 100335, MCULE-8578450050, NSC-290433, AK142030, BAS 00044979, DA-06046, NCI60_002384, AX8122324, LS-188594, FT-0698396, ST50216053, Z2623, 044C126, SR-01000389309, SR-01000389309-1, 7-Diethylamino-3-(1-methyl-2-benzimidazolyl)coumarin, I14-52980, 7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin, 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)coumarin, 3-(2'-N-Methylbenzimidazolyl)-7-N,N-diethylaminocoumarin, 3-(N-methyl-benzoimidazol-2-yl)-7-(diethylamino)-coumarin, 7-(diethylamino)-3-(1-methyl-2-benzimidazolyl)-1-benzopyran-2-one, 7-Diethylamino-3-(1-methyl-1H-benzoimidazol-2-yl)-chromen-2-one, 7-(DIETHYLAMINO)-3-(1-METHYL-1,3-BENZODIAZOL-2-YL)CHROMEN-2-ONE, 2-Oxylato-3-(1-methyl-3-azonia-1-aza-1H-indene-2-yl)-7-(diethyliminio)-7H-1-benzopyran, C21H21N3O2, AR-1H2776, CID100335, C21-H21-N3-O2, Coumarin 30, 98% - 100MG 100mg, C2837, A13077, 80390-90-5,

Complexity	560
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	347.163g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	347.418g/mol
Monoisotopic Mass	347.163g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	47.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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