1-(2-Aminomethyl)phenyl-4-methylpiperazine - CAS 655256-68-1

Name: 1-(2-Aminomethyl)phenyl-4-methylpiperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032759
Product Name:	1-(2-Aminomethyl)phenyl-4-methylpiperazine
CAS:	655256-68-1
Synonyms:	[2-(4-methyl-1-piperazinyl)phenyl]methanamine; [2-(4-methylpiperazin-1-yl)phenyl]methanamine

Technical Data

IUPAC Name:	[2-(4-methylpiperazin-1-yl)phenyl]methanamine
Description:	1-(2-Aminomethyl)phenyl-4-methylpiperazine (CAS# 655256-68-1) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	205.30
Molecular Formula:	C12H19N3
Canonical SMILES:	CN1CCN(CC1)C2=CC=CC=C2CN
InChI:	InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(12)10-13/h2-5H,6-10,13H2,1H3
InChI Key:	GRSJANZWLLXZFG-UHFFFAOYSA-N
Boiling Point:	337.6 °C at 760 mmHg
Density:	1.065 g/cm³
MDL:	MFCD04970994
LogP:	1.60030

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
AU-2016342309-A1	Ferroportin inhibitors	20151023
AU-2016342310-A1	Novel ferroportin inhibitors	20151023
CA-3002418-A1	Novel ferroportin inhibitors	20151023
EP-3364967-A2	Ferroportin inhibitors	20151023
EP-3365339-A1	Novel ferroportin inhibitors	20151023

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.157897619
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.157897619
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7