Related Searches: HORDENINE

Hordenine(CAS No. 539-15-1)

Hordenine C10H15NO (cas 539-15-1) Molecular Structure

539-15-1 Structure

Identification and Related Records

【Name】
Hordenine
【Iupac name】
4-[2-(dimethylamino)ethyl]phenol
【CAS Registry number】
539-15-1
【Synonyms】
Eremursine(7CI)
Phenol, p-[2-(dimethylamino)ethyl]- (8CI)
Anhalin
Anhaline
Cactine
Hordenin
N,N-Dimethyl-4-hydroxy-b-phenethylamine
N,N-Dimethyl-p-hydroxyphenethylamine
N,N-Dimethyltyramine
Ordenina
Peyocactine
p-Hydroxy-N,N-dimethylphenethylamine
p-[2-(Dimethylamino)ethyl]phenol
【EINECS(EC#)】
208-710-4
【Molecular Formula】
C10H15NO (Products with the same molecular formula)
【Molecular Weight】
165.23
【Inchi】
InChI=1/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
【Canonical SMILES】
CN(C)CCC1=CC=C(C=C1)O
【MOL File】
539-15-1.mol

Chemical and Physical Properties

【Appearance】
White crystal
【Density】
1.026g/cm3
【Boiling Point】
270.2 °C at 760 mmHg
【Refractive Index】
1.542
【Flash Point】
123.5 °C
【Computed Properties】
Molecular Weight:165.2322 [g/mol]
Molecular Formula:C10H15NO
XLogP3:2.1
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:165.115364
MonoIsotopic Mass:165.115364
Topological Polar Surface Area:23.5
Heavy Atom Count:12
Formal Charge:0
Complexity:117
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:4

Safety and Handling

【Specification】

 4-(2-Dimethylaminoethyl)phenol , its CAS NO. is 539-15-1, the synonyms are Hordenine ; p-(2-Dimethylaminoethyl)phenol ; Phenol, p-[2-(dimethylamino)ethyl]- .

Use and Manufacturing

【Usage】
A phenethylamine alkaloid with antibacterial and antibiotic properties found mainly in plants from the cactaceae family. It showed effects similar to Cytosine (C998950) and acted as a depressant on the central nervous system (CNS) during animal testing.

Biomedical Effects and Toxicity

【Therapeutic Uses】
A phenethylamine alkaloid with antibacterial and antibiotic properties found mainly in plants from the cactaceae family. It showed effects similar to Cytosine (C998950) and acted as a depressant on the central nervous system (CNS) during animal testing.

Supplier Location

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