AG00D8ST

54054-85-2 | 1-(3-Nitrophenyl)piperazine

AG00D8ST

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CAS Number	54054-85-2
Catalog Number	AG00D8ST(AGN-PC-0KKNSN)
Chemical Name	1-(3-Nitrophenyl)piperazine
IUPAC Name	1-(3-nitrophenyl)piperazine
InChI	InChI=1S/C10H13N3O2/c14-13(15)10-3-1-2-9(8-10)12-6-4-11-5-7-12/h1-3,8,11H,4-7H2
InChI Key	LHHZRIYUOZPKSG-UHFFFAOYSA-N
MDL Number	MFCD03444407
Molecular Formula	C10H13N3O2
Molecular Weight	207.2291
SMILES	O=[N+](C1=CC(N2CCNCC2)=CC=C1)[O-]
Synonyms	1-(3-nitrophenyl)piperazine, 54054-85-2, 1-(3-Nitro-phenyl)-piperazine, 1-(3-nitrophenyl)-piperazine, CHEMBL267153, Piperazine, 1-(3-nitrophenyl)-, (3-nitrophenyl)piperazine, 3-nitrophenylpiperazine, AC1MC26R, AC1Q1X8X, SCHEMBL519878, Piperazine,1-(3-nitrophenyl)-, CTK4J9414, DTXSID20375060, LHHZRIYUOZPKSG-UHFFFAOYSA-N, ZINC4244898, ANW-49084, BDBM50017449, CN-052, MFCD03444407, SBB055462, AKOS003587736, CS-W019388, MCULE-2930089958, AJ-49640, AN-40610, BR-49879, AB0025386, DB-024583, RT-006025, 4CH-010542, FT-0084493, FT-0660276, ST24021060, ST50949966, W6842, EN300-41062, S-2135, 054N852, I14-11881, Z1245635734, 1- -PIPERAZINE, D0ND2Y, C10H13N3O2, CID2760216, 1-(3-Nitro-phenyl)-piperazine 2HCl salt, A7862, 294210-79-0, 76835-12-6,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.101g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.233g/mol
Monoisotopic Mass	207.101g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3259

Certificate of Analysis

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