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Hordenine

CAT: 0572-TRC-H669600-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H669600-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
539-15-1
Synonyms
Phenol, 4-[2-(dimethylamino)ethyl]-; Eremursine (7CI); Hordenine (6CI); Phenol, p-[2-(dimethylamino)ethyl]- (8CI); 4-[2-(Dimethylamino)ethyl]phenol; Anhalin; Anhaline; Cactine; Hordenin; N,N-Dimethyl-4-hydroxy-β-phenethylamine; N,N-Dimethyl-p-hydroxyphenethylamine; N,N-Dimethyltyramine; Ordenina; Peyocactine; p-Hydroxy-N,N-dimethylphenethylamine; p-[2-(Dimethylamino)ethyl]phenol
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CN(C)CCc1ccc(O)cc1
Molecular Formula
C10 H15 N O
Molecular Weight
165.23
InChI
InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
Additionnal Information
IUPAC name: 4-[2-(dimethylamino)ethyl]phenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Hordenine

Hordenine is a phenethylamine alkaloid. It has a role as a mouse metabolite and a human metabolite.

CAS Number539-15-1
PubChem CID68313
IUPAC Name4-[2-(dimethylamino)ethyl]phenol
Molecular FormulaC10H15NO
Molecular Weight165.23
XLogP2.1
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity117
SMILES
CN(C)CCC1=CC=C(C=C1)O
InChI
InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
InChIKey
KUBCEEMXQZUPDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hordenine
CAS: 539-15-1
CID: 68313
Formula: C10H15NO
MW: 165.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.23
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass165.115364102
Monoisotopic Mass165.115364102
Topological Polar Surface Area23.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity117
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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CatalogName
300426Hordenine