AG003D14

956-61-6 | 1-(4-tert-Butylbenzyl)piperazine

AG003D14

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CAS Number	956-61-6
Catalog Number	AG003D14(AGN-PC-0KK793)
Chemical Name	1-(4-tert-Butylbenzyl)piperazine
IUPAC Name	1-[(4-tert-butylphenyl)methyl]piperazine
InChI	InChI=1S/C15H24N2/c1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17/h4-7,16H,8-12H2,1-3H3
InChI Key	UQLCETYSARZZSR-UHFFFAOYSA-N
MDL Number	MFCD00082594
Molecular Formula	C15H24N2
Molecular Weight	232.3645
SMILES	CC(C2=CC=C(C=C2)CN1CCNCC1)(C)C
Synonyms	1-(4-tert-Butylbenzyl)piperazine, 956-61-6, 1-(4-(tert-Butyl)benzyl)piperazine, 1-[(4-tert-butylphenyl)methyl]piperazine, MFCD00082594, Piperazine, 1-[[4-(1,1-dimethylethyl)phenyl]methyl]-, {[4-(tert-butyl)phenyl]methyl}piperazine, AC1MC3TA, SCHEMBL270561, 1-(4-t-butylbenzyl)piperazine, CTK3I6493, KS-00001NNL, DTXSID70370863, UQLCETYSARZZSR-UHFFFAOYSA-N, 1-(4-tert-Butyl-benzyl)-piperazine, 6518AC, ANW-44249, KM3356, SBB056134, ZINC19370337, AKOS000126471, TRA0097347, VP70164, 1-(4-tert-Butylbenzyl)piperazine, 97%, AJ-73011, BP-13179, SY014772, TS-03302, AB0053049, DB-057597, TR-029824, BB 0249445, FT-0633187, ST24026893, ST50950085, MFCD00082594 (97+%), A845367, I01-9346, 1- piperazine, C15H24N2, CID2735657,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.194g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.371g/mol
Monoisotopic Mass	232.194g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	15.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P280a-P304+P340-P405-P501a-P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number