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MPTP hydrochloride 25mg

CAT: 0628-A15173-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A15173-25Size:25 mg
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CAS Number
23007-85-4

Chemical Information

MPTP hydrochloride

MPTP hydrochloride is an organic molecular entity. It has a role as a neurotoxin.

CAS Number23007-85-4
PubChem CID161406
IUPAC Name1-methyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
Molecular FormulaC12H16ClN
Molecular Weight209.71
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity189
SMILES
CN1CCC(=CC1)C2=CC=CC=C2.Cl
InChI
InChI=1S/C12H15N.ClH/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-7H,8-10H2,1H3;1H
InChIKey
KOWJANGMTAZWDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MPTP hydrochloride
CAS: 23007-85-4
CID: 161406
Formula: C12H16ClN
MW: 209.71
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight209.71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass209.0971272
Monoisotopic Mass209.0971272
Topological Polar Surface Area3.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes