AG00IFBZ

886766-73-0 | 3-M-Tolyl-piperazine-1-carboxylic acid tert-butyl ester

AG00IFBZ

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CAS Number	886766-73-0
Catalog Number	AG00IFBZ(AGN-PC-0WCZUJ)
Chemical Name	3-M-Tolyl-piperazine-1-carboxylic acid tert-butyl ester
IUPAC Name	tert-butyl 3-(3-methylphenyl)piperazine-1-carboxylate
InChI	InChI=1S/C16H24N2O2/c1-12-6-5-7-13(10-12)14-11-18(9-8-17-14)15(19)20-16(2,3)4/h5-7,10,14,17H,8-9,11H2,1-4H3
InChI Key	IKBHBWSKAGCUHE-UHFFFAOYSA-N
MDL Number	MFCD08685950
Molecular Formula	C16H24N2O2
Molecular Weight	276.3740
SMILES	CC1=CC(C2NCCN(C(OC(C)(C)C)=O)C2)=CC=C1
Synonyms	886766-73-0, 1-BOC-3-M-TOLYLPIPERAZINE, tert-Butyl 3-(m-tolyl)piperazine-1-carboxylate, 3-M-TOLYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, DTXSID10857148, MFCD08685950, 1-N-Boc-3-(3-methylphenyl)piperazine, AB46183, AS-35476, AX8266442, X-2497, tert-butyl 3-(3-methylphenyl)piperazine-1-carboxylate,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.184g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.38g/mol
Monoisotopic Mass	276.184g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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