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Butalamine

CAT: 0931-T25184-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25184-02Size:50 mg
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CAS Number
22131-35-7
Target
Others
Related Pathways
Others
Bioactivity
Butalamine is a vasodilator (peripheral) with local anesthetic effects. It suppresses state 3 respiration and decreases ADP/O in the rat liver.
Smiles
N(CCN(CCCC)CCCC)C1=NC(=NO1)C2=CC=CC=C2
Molecular Formula
C18H28N4O
Molecular Weight
316.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Butalamine

Butalamine is a ring assembly and an oxadiazole.

CAS Number22131-35-7
PubChem CID30949
IUPAC NameN',N'-dibutyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
Molecular FormulaC18H28N4O
Molecular Weight316.4
XLogP4.7
Topological Polar Surface Area54.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity289
SMILES
CCCCN(CCCC)CCNC1=NC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)
InChIKey
VYWQZAARVNRSTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butalamine
CAS: 22131-35-7
CID: 30949
Formula: C18H28N4O
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass316.22631153
Monoisotopic Mass316.22631153
Topological Polar Surface Area54.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity289
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FB19369-01Butalamine
GTR19199420-01Butalamine HCl
HY-105651AButalamine (hydrochloride)
HY-105651ARButalamine (hydrochloride) (Standard)

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