1-(4-Methylbenzyl)piperazine - CAS 23173-57-1

Name: 1-(4-Methylbenzyl)piperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017969
Product Name:	1-(4-Methylbenzyl)piperazine
CAS:	23173-57-1
Synonyms:	Piperazine, 1-[(4-methylphenyl)methyl]-; Piperazine, 1-(p-methylbenzyl)-; 1-(p-Methylbenzyl)piperazine; 1-(p-Tolylmethyl)piperazine; N-(p-Methylbenzyl)piperazine

Technical Data

Related CAS:	435345-17-8 (monohydrochloride)
IUPAC Name:	1-[(4-methylphenyl)methyl]piperazine
Description:	1-(4-Methylbenzyl)piperazine, a metabolite of Meclizine, is a useful synthetic intermediate in the synthesis of 3-Desmethyl 4-Methyl Meclizine Dihydrochloride.
Molecular Weight:	190.28
Molecular Formula:	C12H18N2
Canonical SMILES:	CC1=CC=C(C=C1)CN2CCNCC2
InChI:	InChI=1S/C12H18N2/c1-11-2-4-12(5-3-11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChI Key:	RNAXUUAJNMDESG-UHFFFAOYSA-N
Boiling Point:	120-121°C
Melting Point:	36-37°C
Purity:	95%
Density:	1.011±0.06 g/cm3
Appearance:	Low-melting Solid
Storage:	Store at RT
MDL:	MFCD01075235
LogP:	1.66690

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.146998583
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.146998583
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5