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Pentamoxane

CAT: 0931-T202198-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202198-02Size:50 mg
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CAS Number
4730-07-8
Bioactivity
Pentamoxane is a compound developed for use as a sedative.
Smiles
O1C=2C=CC=CC2OC(C1)CNCCC(C)C
Molecular Formula
C14H21NO2
Molecular Weight
235.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pentamoxane
CAS Number4730-07-8
PubChem CID3083868
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylbutan-1-amine
Molecular FormulaC14H21NO2
Molecular Weight235.32
XLogP3
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity220
SMILES
CC(C)CCNCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C14H21NO2/c1-11(2)7-8-15-9-12-10-16-13-5-3-4-6-14(13)17-12/h3-6,11-12,15H,7-10H2,1-2H3
InChIKey
DBXSOFDAWXSIJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentamoxane
CAS: 4730-07-8
CID: 3083868
Formula: C14H21NO2
MW: 235.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.32
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass235.157228913
Monoisotopic Mass235.157228913
Topological Polar Surface Area30.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity220
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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