AG003P35

1552-42-7 | 6-(Dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)isobenzofuran-1(3H)-one

AG003P35

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CAS Number	1552-42-7
Catalog Number	AG003P35(AGN-PC-0Q6UXC)
Chemical Name	6-(Dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)isobenzofuran-1(3H)-one
EC Number	216-293-5
IUPAC Name	6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
InChI	InChI=1S/C26H29N3O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26/h7-17H,1-6H3
InChI Key	IPAJDLMMTVZVPP-UHFFFAOYSA-N
MDL Number	MFCD00070611
Molecular Formula	C26H29N3O2
Molecular Weight	415.5274
SMILES	CN(C1=CC=C2C(OC(C2=C1)=O)(C1=CC=C(C=C1)N(C)C)C1=CC=C(C=C1)N(C)C)C
UNII	USS7CW0676
Synonyms	6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)-1(3H)-isobenzofuranone, crystal violet lactone, Crystal violet lactone, 1552-42-7, 3,3-Bis(p-dimethylaminophenyl)-6-dimethylaminophthalide, UNII-USS7CW0676, 3,3-Bis(4-dimethylaminophenyl)-6-dimethylaminophthalide, 3,3-Bis(p-dimethylaminophenyl)-6-dimethylaminophthalate, NSC 3562, EINECS 216-293-5, 6-(Dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)phthalide, MFCD00070611, NSC 32991, AI3-17349, USS7CW0676, Phthalide, 6-(dimethylamino)-3,3-bis(p-(dimethylamino)phenyl)-, IPAJDLMMTVZVPP-UHFFFAOYSA-N, C26H29N3O2, 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-, 6-Dimethylamino-3,3-bis(4-dimethylaminophenyl)phthalide, 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)-, C-8660, 6-(Dimethylamino)-3,3-bis[p-(dimethylamino)phenyl]phthalide, Phthalide, 6-(dimethylamino)-3,3-bis[p-(dimethylamino)phenyl]-, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)-1(3H)-isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-1(3H)-Isobenzofuranone, Phthalide,3-bis[p-(dimethylamino)phenyl]-, 1(3H)-Isobenzofuranone,3-bis[4-(dimethylamino)phenyl]-, 3,3-Bis(p-(dimethylamino)phenyl)-6-(dimethylamino)phthalide, 3,3-Bis[p-(dimethylamino)phenyl]-6-(dimethylamino)phthalide, 6-(Dimethylamino)-3,3-bis(p-(dimethylamino)phenyl)phthalide, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]phthalide, 3,3-bis[4-(dimethylamino)phenyl]-6-(dimethylamino)-3-hydroisobenzofuran-1-one, 6-(Dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1(3H)-one, Cristal Violet Lactone, Pergascript Blue I 2R, AC1L2KHG, DSSTox_CID_4866, AC1Q6HD6, DSSTox_RID_77558, DSSTox_GSID_24866, SCHEMBL27188, Crystal violet lactone [CVL], CHEMBL1369406, DTXSID8024866, CTK6H9692, KS-00000FYK, NSC3562, CVL 3,3-Bis-4-dimethylaminophenyl7-6-dimethylaminophthalide, NSC-3562, NSC32991, ZINC4365520, Tox21_200866, LS-892, NSC-32991, SBB057337, AKOS015896372, MCULE-7544655446, RL01992, NCGC00091224-01, NCGC00091224-02, NCGC00258420-01, AC-19658, AK323611, AN-19724, AS-17340, U626, CAS-1552-42-7, Crystal Violet lactone, Dye content 97 %, DB-064079, FT-0624110, ST50826345, A809625, I06-1963, J-520109, 3,3-bis-4-dimethylaminophenyl-6-dimethylaminophthalide, 3,3-bis-(4-dimethylaminophenyl)-6-dimethylaminophthalide, 3,3-bis-(p-dimethylaminophenyl)-6-dimethylaminophthalide, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)isobenzofuran-1(3H)-one, 6-(dimethylamino)-3,3-bis(4-dimethylaminophenyl)-2-benzofuran-1-one, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-1(3h)-isobenzofuranon, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-1-isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]isobenzofuran-1-one, 6-(Dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1(3H)-one #, CID73773, c0741, C26-H29-N3-O2, Crystal violet lactone, 95% - 25G 25g, C048923, 6-dimethylamino-3,3-bis(4-dimethylaminophenyl)-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[ 4-(dimethylamino)phenyl]-,

Complexity	590
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	415.226g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	415.537g/mol
Monoisotopic Mass	415.226g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	36A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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