AG003R3W

57500-34-2 | Isoindoline-1,3-diimine

AG003R3W

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CAS Number	57500-34-2
Catalog Number	AG003R3W(AGN-PC-0WNYBI)
Chemical Name	Isoindoline-1,3-diimine
EC Number	222-426-8
IUPAC Name	3-iminoisoindol-1-amine
InChI	InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
InChI Key	RZVCEPSDYHAHLX-UHFFFAOYSA-N
MDL Number	MFCD00010062
Molecular Formula	C8H7N3
Molecular Weight	145.1613
NSC Number	516222
SMILES	N=C1NC(=N)c2c1cccc2
Synonyms	1,3-Diiminoisoindoline, Isoindoline-1,3-diimine, 3468-11-9, 57500-34-2, 1-Imino-1H-isoindol-3-amine, Diiminoisoindoline, Phthalimide diimide, Phthalimidimide, Phthalogen, 1H-Isoindol-3-amine, 1-imino-, Fastogen Blue 5040, 1,3-Isoindolinediimine, 1H-Isoindole-1,3(2H)-diimine, Aminoiminoisoindolenine, Afastogen Blue 5040, 3-iminoisoindol-1-amine, Fastogen Blue SH-100, Fastogen Blue FP-3100, Phthalocyanine Blue 01206, Phthalocyanine Blue 01216, 1-Amino-3-iminoisoindolenine, Modr ftalostanova 3g, 1,3-Diiminoisoindolin, 1H-Isoindole, 3-amino-1-imino-, Modr Ftalostanova 3G [Czech], (Z,Z)-1,3-Diiminoisoindoline, 1,3-Diiminoisoindolin [Czech], RZVCEPSDYHAHLX-UHFFFAOYSA-N, ISOINDOLINE, 1,3-DIIMINO-, EINECS 222-426-8, MFCD00010062, 3-iminoisoindolylamine, NSC 516222, 160956-25-2, W-109900, Isoindoline,3-diimino-, 1,3-diimino isoindoline, 3-imino-1-isoindolamine, ACMC-2097dk, AC1L2D7I, DSSTox_CID_24658, DSSTox_RID_80381, DSSTox_GSID_44658, SCHEMBL66860, 1-Amino-3-imino-isoindolenin, 3-azanylideneisoindol-1-amine, 1-amino-3-imino-isoindolenine, 1,3-Diiminoisoindoline, 97%, CHEMBL3185395, DTXSID0044658, CTK1C3161, CTK1H4273, KS-00000LQZ, RZVCEPSDYHAHLX-UHFFFAOYSA-, WLN: T56 BYMYJ BUM DUM, ZINC388558, ZX-AL000770, Tox21_301457, 1H-Isoindole-1,3(2H)-diimine #, ANW-13830, FCH832042, NSC516222, SBB040172, AKOS000268630, AKOS015854074, AC-7856, AN-8604, MCULE-2550055946, MP-2096, NSC-516222, VI30462, NCGC00256041-01, AJ-20689, AS-15398, LS-84709, CAS-3468-11-9, ST2413146, TL8000008, TR-020074, D2079, FT-0606669, FT-0658583, ST50213308, A822344, I14-6180, I14-93234, InChI=1/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11), 1,3-diimino-isoindoline, C8H7N3, CID18980, P175, 1H-Isoindol-3-amine, 1-imino-, (E)- (9CI), 1H-Isoindol-3-amine, 1-imino-, (Z)- (9CI), 160956-28-5, 160956-29-6,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.064g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	145.165g/mol
Monoisotopic Mass	145.064g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	62.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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

Lot Number