AG00C3B2

206996-13-6 | BD 1063 (hydrochloride)

AG00C3B2

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CAS Number	206996-13-6
Catalog Number	AG00C3B2(AGN-PC-0QWBQ1)
Chemical Name	BD 1063 (hydrochloride)
IUPAC Name	1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride
InChI	InChI=1S/C13H18Cl2N2.2ClH/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11;;/h2-3,10H,4-9H2,1H3;2*1H
InChI Key	NXFDBTLQOARIMH-UHFFFAOYSA-N
MDL Number	MFCD00792740
Molecular Formula	C13H20Cl4N2
Molecular Weight	346.1233
SMILES	ClC1=C(Cl)C=CC(CCN2CCN(C)CC2)=C1.Cl.Cl
Synonyms	BD 1063 Dihydrochloride, 206996-13-6, BD1063 (dhydrochloride), 150208-28-9, BD1063 dhydrochloride, 1-[2-(3,4-Dichlorophenyl)ethyl]-4-methylpiperazine Dihydrochloride, SCHEMBL2727622, CHEMBL4066998, CTK8E8466, DTXSID00469537, EX-A1959, HY-18101A, AKOS024458678, CS-6455, TRA0025018, RT-011433, BD 1063 dihydrochloride, >=98% (HPLC), FT-0662505, BD-1063 dhydrochloride;BD 1063 dhydrochloride, SR-01000597944, J-008672, SR-01000597944-1, 1-(3,4-dichlorophenethyl)-4-methylpiperazine dihydrochloride, Piperazine, 1-[2-(3,4-dichlorophenyl)ethyl]-4-methyl-, dihydrochloride, BD 1063, CID11617161, 1-[2-(3,4-dichlorophenyl)ethyl]-4-methyl-piperazine Dihydrochloride,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	346.035g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	346.117g/mol
Monoisotopic Mass	344.038g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	6.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P264-P280-P305+P351+P338-P337+P313
UN Code

Certificate of Analysis

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