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16046-07-4 | Phenol, 5-(2-aminoethyl)-2,3-dimethoxy-
CAS No: 16046-07-4 Catalog No: AG001RYE MDL No:
Product Description
Catalog Number:
AG001RYE
Chemical Name:
Phenol, 5-(2-aminoethyl)-2,3-dimethoxy-
CAS Number:
16046-07-4
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
5-(2-aminoethyl)-2,3-dimethoxyphenol
InChI:
InChI=1S/C10H15NO3/c1-13-9-6-7(3-4-11)5-8(12)10(9)14-2/h5-6,12H,3-4,11H2,1-2H3
InChI Key:
PDKPJPTZKPCMKR-UHFFFAOYSA-N
SMILES:
NCCc1cc(OC)c(c(c1)O)OC
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Novel, unifying mechanism for mescaline in the central nervous system: electrochemistry, catechol redox metabolite, receptor, cell signaling and structure activity relationships. | Oxidative medicine and cellular longevity 20090101 |
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