AG003E12

886769-00-2 | 1-Boc-3-(2,3-dichlorophenyl)piperazine

AG003E12

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CAS Number	886769-00-2
Catalog Number	AG003E12(AGN-PC-0JEK2B)
Chemical Name	1-Boc-3-(2,3-dichlorophenyl)piperazine
IUPAC Name	tert-butyl 3-(2,3-dichlorophenyl)piperazine-1-carboxylate
InChI	InChI=1S/C15H20Cl2N2O2/c1-15(2,3)21-14(20)19-8-7-18-12(9-19)10-5-4-6-11(16)13(10)17/h4-6,12,18H,7-9H2,1-3H3
InChI Key	UQFCGECXOICQHY-UHFFFAOYSA-N
MDL Number	MFCD08686118
Molecular Formula	C15H20Cl2N2O2
Molecular Weight	331.2375
SMILES	CC(OC(N1CC(C2=C(Cl)C(Cl)=CC=C2)NCC1)=O)(C)C
Synonyms	1-Boc-3-(2,3-dichlorophenyl)piperazine, 886769-00-2, CTK8E1640, KS-00000DN0, 5074AJ, MFCD08686118, AKOS024257184, AB46615, TRA0023614, AS-32660, SY021227, 1-N-Boc-3-(2,3-dichlorophenyl)piperazine, TC-306662, Z-4604, MFCD08686118 (95+%), tert-butyl 3-(2,3-dichlorophenyl)piperazine-1-carboxylate, C15H20Cl2N2O2, 39959-68-7,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	330.09g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	331.237g/mol
Monoisotopic Mass	330.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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