AG005H3D

775288-71-6 | 1-(6-NITROPYRIDIN-3-YL)PIPERAZINE

AG005H3D

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CAS Number	775288-71-6
Catalog Number	AG005H3D(AGN-PC-0NH2N0)
Chemical Name	1-(6-NITROPYRIDIN-3-YL)PIPERAZINE
IUPAC Name	1-(6-nitropyridin-3-yl)piperazine
InChI	InChI=1S/C9H12N4O2/c14-13(15)9-2-1-8(7-11-9)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2
InChI Key	UBCDLQPOKISIDX-UHFFFAOYSA-N
MDL Number	MFCD09041112
Molecular Formula	C9H12N4O2
Molecular Weight	208.2172
SMILES	[O-][N+](=O)C1=CC=C(C=N1)N1CCNCC1
Synonyms	1-(6-nitropyridin-3-yl)piperazine, 775288-71-6, 1-(6-Nitro-3-pyridyl)piperazine, AC1Q1XMX, AC1Q1Y8Q, SCHEMBL1392957, SCHEMBL17525876, CTK5E4595, DTXSID80457598, UBCDLQPOKISIDX-UHFFFAOYSA-N, CS-B0330, KS-00000QK6, 2155AC, ANW-68348, MFCD09041112, ZINC20282959, AKOS000123471, 1-(6-Nitro-pyridin-3-yl)-piperazine, MCULE-4022435115, Piperazine,1-(6-nitro-3-pyridinyl)-, AJ-76891, AK-79764, DS-17738, SY061053, RT-006108, EN300-35856, MFCD09041112 (95%), A1-02677, Z367451044, C9H12N4O2, ACN-043764, CID11171804, Piperazine, 1-(6-nitro-3-pyridinyl)-,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.096g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.221g/mol
Monoisotopic Mass	208.096g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	74A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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