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Candicine chloride

CAT: 0931-TN11186-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11186-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3761-58-8
Target
Others
Related Pathways
Others
Bioactivity
Candicine chloride (N, N, N-Trimethyltyramine chloride) is an alkaloid that can be extracted from the plant Stapelia gigantia (N. E. BR.) .
Smiles
[Cl-].OC1=CC=C(C=C1)CC[N+](C)(C)C
Molecular Formula
C11H18ClNO
Molecular Weight
215.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Candicine Chloride
CAS Number3761-58-8
PubChem CID13969568
IUPAC Name2-(4-hydroxyphenyl)ethyl-trimethylazanium chloride
Molecular FormulaC11H18ClNO
Molecular Weight215.72
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity143
SMILES
C[N+](C)(C)CCC1=CC=C(C=C1)O.[Cl-]
InChI
InChI=1S/C11H17NO.ClH/c1-12(2,3)9-8-10-4-6-11(13)7-5-10;/h4-7H,8-9H2,1-3H3;1H
InChIKey
RSMTVUYKCSQILZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Candicine Chloride
CAS: 3761-58-8
CID: 13969568
Formula: C11H18ClNO
MW: 215.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.72
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass215.1076919
Monoisotopic Mass215.1076919
Topological Polar Surface Area20.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity143
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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CatalogName
HY-W671434ACandicine (chloride)
GTR19265965-01Candicine chloride
GAA65613-01Candicine
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3125490Tin chloride (stannous chloride)
3121645Cobalt chloride (Cobaltous chloride)
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