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Isomylamine hydrochloride

CAT: 0931-T201490-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201490-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24357-98-0
Bioactivity
Isoamylamine hydrochloride is a spasmolytic and smooth muscle relaxant, suitable for related research or chemical synthesis.
Smiles
Cl.O=C(OCCN(CC)CC)C1(CCCCC1)CCC(C)C
Molecular Formula
C18H36ClNO2
Molecular Weight
333.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isomylamine Hydrochloride
CAS Number24357-98-0
PubChem CID172985
IUPAC Name2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate;hydrochloride
Molecular FormulaC18H36ClNO2
Molecular Weight333.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count22
Formal Charge0
Complexity292
SMILES
CCN(CC)CCOC(=O)C1(CCCCC1)CCC(C)C.Cl
InChI
InChI=1S/C18H35NO2.ClH/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;1H
InChIKey
KMYDNZZJBUDBTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isomylamine Hydrochloride
CAS: 24357-98-0
CID: 172985
Formula: C18H36ClNO2
MW: 333.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass333.2434571
Monoisotopic Mass333.2434571
Topological Polar Surface Area29.5 Ų
Heavy Atom Count22
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 Count2
Compound Is CanonicalizedYes

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