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1-Methyl-3-BZP

CAT: 0804-HY-116201Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116201Size:1 Each
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Description
1-Methyl-3-BZP is a piperazine.
CAS Number
137539-25-4
Product Name Alternative
3-Benzyl-1-methylpiperazine
UNSPSC
12352005
Hazard Statement
H302-H312-H314-H332-H335
Target
Drug Derivative
Related Pathways
Others
Field of Research
Neurological Disease
Smiles
CN1CCNC(C1)CC2=CC=CC=C2
Molecular Formula
C12H18N2
Molecular Weight
190.28
Precautions
P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P363-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-Benzyl-1-methylpiperazine
CAS Number137539-25-4
PubChem CID15175836
IUPAC Name3-benzyl-1-methylpiperazine
Molecular FormulaC12H18N2
Molecular Weight190.28
XLogP1.6
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity164
SMILES
CN1CCNC(C1)CC2=CC=CC=C2
InChI
InChI=1S/C12H18N2/c1-14-8-7-13-12(10-14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKey
NJHPPXZJEYFKMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Benzyl-1-methylpiperazine
CAS: 137539-25-4
CID: 15175836
Formula: C12H18N2
MW: 190.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.28
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass190.146998583
Monoisotopic Mass190.146998583
Topological Polar Surface Area15.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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