AG0034DS

29512-49-0 | 7-Anilino-3-diethylamino-6-methyl fluoran

AG0034DS

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CAS Number	29512-49-0
Catalog Number	AG0034DS(AGN-PC-0R5434)
Chemical Name	7-Anilino-3-diethylamino-6-methyl fluoran
EC Number	249-676-0
IUPAC Name	2'-anilino-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI	InChI=1S/C31H28N2O3/c1-4-33(5-2)22-15-16-25-29(18-22)35-28-17-20(3)27(32-21-11-7-6-8-12-21)19-26(28)31(25)24-14-10-9-13-23(24)30(34)36-31/h6-19,32H,4-5H2,1-3H3
InChI Key	WQFYAGVHZYFXDO-UHFFFAOYSA-N
MDL Number	MFCD00603523
Molecular Formula	C31H28N2O3
Molecular Weight	476.5656
SMILES	O=C5OC2(c4ccc(cc4(Oc1cc(c(cc12)Nc3ccccc3)C))N(CC)CC)c6ccccc56
Synonyms	29512-49-0, 7-Anilino-3-diethylamino-6-methyl fluoran, One Dye Black 1, 6'-(Diethylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, 7-Anilino-3-diethylamino-6-methylfluoran, C31H28N2O3, 2'-anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, AK343295, N-102, 6'-Diethylamino-3'-methyl-2'-phenylaminofluoran, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-, 2'-anilino-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one, 2'-Anilino-6'-(diethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-, ODB-1, 2'-Anilino-6'-(diethylamino)-3'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one, EINECS 249-676-0, 2-Anilino-3-methyl-6-diethylaminofluoran, BAS 00031946, AC1L3UIG, AC1Q6MNE, SCHEMBL2764830, DTXSID0029347, CTK8D6662, WQFYAGVHZYFXDO-UHFFFAOYSA-N, EBD53117, MFCD00603523, STL431808, AKOS000447886, AKOS024373831, MCULE-7339298122, Heat(Pressure) Sensitive Black TF-BL1, 3-Diethylamino-6-methyl-7-anilinofluoran, AS-14011, O974, 3-(Diethylamino)-6-methyl-7-anilinofluoran, FT-0658294, ST51012841, 512D490, A819944, C-35147, Fluoran, 2'-anilino-6'-(diethylamino)-3'-methyl-, 2'-anilino-6'-(diethylamino)-3'-methyl-1-spiro[isobenzofuran-3,9'-xanthene]one, 2\'-anilino-6\'-(diethylamino)-3\'-methylspiro[2-benzofuran-3,9\'-xanthene]-1-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one, 15-(diethylamino)-12-methyl-11-(phenylamino)spiro[3-hydroisobenzofuran-3,9'-xa nthene]-1-one, 3'-(DIETHYLAMINO)-6'-METHYL-7'-(PHENYLAMINO)-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-3-ONE, 3-Diethylamino-6-methyl-7-anilinofluoran; 6'-Diethylamino-3'-methyl-2'-phenylaminofluoran; 3-(Diethylamino)-6-methyl-7-anilinofluoran; 2'-Anilino-6'-(diethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one; One Dye Black 1; ODB-1, UNII-8C4BY0JL9A, 8C4BY0JL9A, AR-1D8941, CID122402, C31-H28-N2-O3, 2-Phenylamino-3-methyl-6-diethylaminofluoran, 2-phenylamino-3-methyl-6-diethylaminofluorane, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl, 6270-08-2,

Complexity	780
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	476.21g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	476.576g/mol
Monoisotopic Mass	476.21g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	50.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	6.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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