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Piperoxan hydrochloride

CAT: 0127-BUP10068-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10068-01Size:5 mg
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CAS Number
135-87-5
Synonyms
Dl-Piperoxan hydrochloride, Benodaine hydrochloride
Purity
=98%
Smiles
Cl.C(C1COc2ccccc2O1)N1CCCCC1

Chemical Information

Piperoxan Hydrochloride

See also: Piperoxan (has active moiety).

CAS Number135-87-5
PubChem CID101619
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine;hydrochloride
Molecular FormulaC14H20ClNO2
Molecular Weight269.77
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity240
SMILES
C1CCN(CC1)CC2COC3=CC=CC=C3O2.Cl
InChI
InChI=1S/C14H19NO2.ClH/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12;/h2-3,6-7,12H,1,4-5,8-11H2;1H
InChIKey
BITRJBQGQMGGQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piperoxan Hydrochloride
CAS: 135-87-5
CID: 101619
Formula: C14H20ClNO2
MW: 269.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.77
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass269.1182566
Monoisotopic Mass269.1182566
Topological Polar Surface Area21.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3601473-01Piperoxan hydrochloride
HY-100850-01Piperoxan (hydrochloride)
HY-100850RPiperoxan (hydrochloride) (Standard)
A18336-5Piperoxan hydrochloride 5mg
A18336-2Piperoxan hydrochloride 2mg
A18336-100Piperoxan hydrochloride 100mg
A18336-50Piperoxan hydrochloride 50mg
A18336-10Piperoxan hydrochloride 10mg
A18336-200Piperoxan hydrochloride 200mg
A18336-25Piperoxan hydrochloride 25mg

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