AG004B5J

88235-25-0 | 6-(7-NITRO-2,1,3-BENZOXADIAZOL-4-YLAMINO)HEXANOIC ACID

AG004B5J

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CAS Number	88235-25-0
Catalog Number	AG004B5J(AGN-PC-0JMQJF)
Chemical Name	6-(7-NITRO-2,1,3-BENZOXADIAZOL-4-YLAMINO)HEXANOIC ACID
IUPAC Name	6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoic acid
InChI	InChI=1S/C12H14N4O5/c17-10(18)4-2-1-3-7-13-8-5-6-9(16(19)20)12-11(8)14-21-15-12/h5-6,13H,1-4,7H2,(H,17,18)
InChI Key	DJFNQJJTTPMBIL-UHFFFAOYSA-N
MDL Number	MFCD00057884
Molecular Formula	C12H14N4O5
Molecular Weight	294.2634
SMILES	O=C(O)CCCCCNC1=CC=C([N+]([O-])=O)C2=NON=C21
Synonyms	7-nitrobenzoxadiazole-6-aminohexanoic acid, N(7-nitro-2,1,3-benzoxadiazol-4-yl)-6-aminocaproic acid, N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-6-aminohexanoic acid, NBD-AMHA, 88235-25-0, 6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanoic acid, Nbd-amha, NBD-X, 7-Nitrobenzoxadiazole-6-aminohexanoic acid, 6-(7-Nitrobenzofurazan-4-ylamino)hexanoic acid, NBD Hexanoic Acid, 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoic acid, N-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-6-aminohexanoic acid, 6-(7-nitrobenzofurazan-4-ylamino)-hexanoic acid, 6-[N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]hexanoic acid, 6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoic acid, 6-(n-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)hexanoic acid, C6-NBD, NBD-C6, AC1L3E7H, SCHEMBL459120, SCHEMBL14527092, CHEBI:52162, CTK5F9535, DTXSID20236920, N(7-Nitro-2,1,3-benzoxadiazol-4-yl)-6-aminocaproic acid, DJFNQJJTTPMBIL-UHFFFAOYSA-N, ZINC4521715, 4070AC, ANW-73183, MFCD00057884, AKOS009158306, AJ-51449, AN-35369, TC-161928, FT-0620823, 6-(7-Nitrobenzofurazan-4-ylamino)hexano1c acid, 235N250, 6-[(7-Nitrobenzofurazan-4-yl)amino]hexanoic Acid, J-100213, Hexanoic acid, 6-((7-nitro-4-benzofurazanyl)amino)-, I01-19601, 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylamino)hexanoic acid, 6-(7-Nitrobenzo[1,2,5]oxadiazol-4-ylamino)hexanoic acid, 6-(7-nitrobenzo[c][1,2,5]oxadiazol-4-ylamino)hexanoic acid, Hexanoic acid,6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-, 6-(7-Nitrobenzofurazan-4-ylamino)hexanoic acid, suitable for fluorescence, 6- HEXANOICACID, C12H14N4O5, CID139072, C12-H14-N4-O5, N316, 6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanoicacid, Hexanoic acid, 6-[7-nitro-2,1,3-benzoxadiazol-4-yl]amino]-,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.096g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	294.267g/mol
Monoisotopic Mass	294.096g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	134A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 2811

Certificate of Analysis

Lot Number