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Isomylamine

CAT: 0013-GTR19242170-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242170-02Size:50 mg
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Description
Isomylamine is a small molecule utilized in research for its antispasmodic properties and ability to relax smooth muscle. It is applicable for in vitro pharmacological studies and in vivo models investigating gastrointestinal or urinary tract motility disorders.
CAS Number
28815-27-2
Smiles
O=C (OCCN (CC) CC) C1 (CCCCC1) CCC (C) C
Molecular Formula
C18H35NO2
Molecular Weight
297.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isomylamine
CAS Number28815-27-2
PubChem CID28221
IUPAC Name2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate
Molecular FormulaC18H35NO2
Molecular Weight297.5
XLogP5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity292
SMILES
CCN(CC)CCOC(=O)C1(CCCCC1)CCC(C)C
InChI
InChI=1S/C18H35NO2/c1-5-19(6-2)14-15-21-17(20)18(13-10-16(3)4)11-8-7-9-12-18/h16H,5-15H2,1-4H3
InChIKey
BHSHHNNBVMXJNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isomylamine
CAS: 28815-27-2
CID: 28221
Formula: C18H35NO2
MW: 297.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.5
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass297.266779359
Monoisotopic Mass297.266779359
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity292
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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