AG003B2H

34372-72-0 | 2'-(Dibenzylamino)-6'-(diethylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one

AG003B2H

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CAS Number	34372-72-0
Catalog Number	AG003B2H(AGN-PC-0R9QFU)
Chemical Name	2'-(Dibenzylamino)-6'-(diethylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
EC Number	251-971-4
IUPAC Name	2'-(dibenzylamino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
InChI	InChI=1S/C38H34N2O3/c1-3-39(4-2)30-19-21-33-36(24-30)42-35-22-20-29(23-34(35)38(33)32-18-12-11-17-31(32)37(41)43-38)40(25-27-13-7-5-8-14-27)26-28-15-9-6-10-16-28/h5-24H,3-4,25-26H2,1-2H3
InChI Key	DXYZIGZCEVJFIX-UHFFFAOYSA-N
MDL Number	MFCD00100991
Molecular Formula	C38H34N2O3
Molecular Weight	566.6882
SMILES	CCN(CC)C(C=C1)=CC2=C1C3(C4=CC(N(CC5=CC=CC=C5)CC6=CC=CC=C6)=CC=C4O2)C7=CC=CC=C7C(O3)=O
Synonyms	34372-72-0, 2'-(Dibenzylamino)-6'-(diethylamino)fluoran, 2'-(Dibenzylamino)-6'-(diethylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, 2'-(Dibenzylamino)-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, 2'-(dibenzylamino)-6'-(diethylamino)-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one, W-110844, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2'-(bis(phenylmethyl)amino)-6'-(diethylamino)-, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2'-[bis(phenylmethyl)amino]-6'-(diethylamino)-, EINECS 251-971-4, 2'-(Dibenzylamino)-6'-(diethylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one, 2-dibenzylamino-6-diethylamino fluorane, AC1L3NCT, AC1Q6MNS, 2'-(Dibenzylamino)-6'-(diethylamino)fluorane, SCHEMBL223117, CTK8D7236, MFCD00100991, 6-Diethylamino-2-dibenzylaminofluoran, AKOS025311134, ACM34372720, Q581, 2-(Dibenzylamino)-6'-(diethylamino)fluoran, D3204, FT-0655427, KS-00001071, 2\'-(Dibenzylamino)-6\'-(diethylamino)fluoran, C-57030, 2'-(dibenzylamino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one, Colorformer green CK-5, UNII-5T585DBU31, C10H17NO, 5T585DBU31, C38H34N2O3, 1-CYCLOPENTYL-4-PIPERIDINONE, AR-1C8885, CID118663, C38-H34-N2-O3, 2-(Dibenzylamino)-6-(diethylamino)fluoran, 35569-11-0, 343787-68-8,

Complexity	906
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	566.257g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	566.701g/mol
Monoisotopic Mass	566.257g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	42A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	8.1

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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