1-(2-Methylbenzyl)piperazine - CAS 5321-47-1

Catalog:	BB028084
Product Name:	1-(2-Methylbenzyl)piperazine
CAS:	5321-47-1
Synonyms:	1-[(2-methylphenyl)methyl]piperazine

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Computed Properties

IUPAC Name:	1-[(2-methylphenyl)methyl]piperazine
Description:	1-(2-Methylbenzyl)piperazine (CAS# 5321-47-1 ) is a useful research chemical.
Molecular Weight:	190.28
Molecular Formula:	C12H18N2
Canonical SMILES:	CC1=CC=CC=C1CN2CCNCC2
InChI:	InChI=1S/C12H18N2/c1-11-4-2-3-5-12(11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChI Key:	GRVNOUKHAZXMJK-UHFFFAOYSA-N
Boiling Point:	293.8 °C at 760 mmHg
Density:	0.998 g/cm³
Appearance:	Colorless to dark yellow liquid
MDL:	MFCD02256026
LogP:	1.66690

Publication Number	Title	Priority Date
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CN-107021945-B	One kind analog derivative of myricetin containing piperazine acidamide and preparation method thereof	20170502

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	164
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