AG003CXI

5321-48-2 | 1-(3-Methylbenzyl)piperazine

AG003CXI

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CAS Number	5321-48-2
Catalog Number	AG003CXI(AGN-PC-07Y4PZ)
Chemical Name	1-(3-Methylbenzyl)piperazine
EC Number	226-184-4
IUPAC Name	1-[(3-methylphenyl)methyl]piperazine
InChI	InChI=1S/C12H18N2/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14/h2-4,9,13H,5-8,10H2,1H3
InChI Key	VTEOTZPEMDQENX-UHFFFAOYSA-N
MDL Number	MFCD01321003
Molecular Formula	C12H18N2
Molecular Weight	190.2847
NSC Number	30681
SMILES	Cc1cccc(c1)CN2CCNCC2
Synonyms	1-(3-Methylbenzyl)piperazine, 5321-48-2, 1-[(3-methylphenyl)methyl]piperazine, 1-(3-Methyl-benzyl)-piperazine, Piperazine, 1-(m-methylbenzyl)-, 1-(m-Methylbenzyl)piperazine, 1-m-Methylbenzylpiperazine, 1-(3-methylbenzyl)-piperazine, Piperazine, 1-[(3-methylphenyl)methyl]-, EINECS 226-184-4, NSC 30681, BRN 0147016, Piperazine, 1-((3-methylphenyl)methyl)-, [(3-methylphenyl)methyl]piperazine, NSC30681, AC1L2WWJ, AC1Q2NHZ, ACMC-209l4r, AC1Q1GT2, AC1Q2IO6, 5-23-01-00210 (Beilstein Handbook Reference), SCHEMBL593734, CTK6C1076, KS-00001NNF, DTXSID40201291, VTEOTZPEMDQENX-UHFFFAOYSA-N, HMS1716L09, ANW-31657, BBL019060, MFCD01321003, NSC-30681, SBB003651, STK299974, ZINC19735175, 1-(3-Methylbenzyl)piperazine, 97%, AKOS000264420, GF-0134, MCULE-8955992759, TRA0062334, AJ-74564, BAS 01375865, AB0009495, LS-112845, ST2403163, TR-018819, 1 - (3 - Methyl - benzyl) - piperazine, BB 0249430, FT-0671552, ST45092333, EN300-11457, M-2399, Piperazine, 1-((3-methylphenyl)methyl)- (9CI), I01-9347, Z57046219, 1- piperazine, KST-1B5102, C12H18N2, CID79213, AR-1B3085, C12-H18-N2, 1-(3-Methylbenzyl)piperazine, 98% - 1G 1g, 5409-85-8,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.147g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.29g/mol
Monoisotopic Mass	190.147g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	15.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H301-H302-H315-H319-H335
Packing Group
Precautionary statements	P280a-P301+P310a-P405-P501a-P261-P305+P351+P338
Signal Words	danger
UN Code

Certificate of Analysis

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