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2039-67-0 | Benzeneethanamine, 3-methoxy-
CAS No: 2039-67-0 Catalog No: AG00296F MDL No:MFCD00008187
Product Description
Catalog Number:
AG00296F
Chemical Name:
Benzeneethanamine, 3-methoxy-
CAS Number:
2039-67-0
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD00008187
IUPAC Name:
2-(3-methoxyphenyl)ethanamine
InChI:
InChI=1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3
InChI Key:
WJBMRZAHTUFBGE-UHFFFAOYSA-N
SMILES:
NCCc1cccc(c1)OC
EC Number:
218-017-9
UNII:
7WX5W6GM6F
NSC Number:
124706
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Self-assembly and chiral recognition of quartz crystal microbalance chiral sensor. | Chirality 20100505 |
| Intelligent chiral sensing based on supramolecular and interfacial concepts. | Sensors (Basel, Switzerland) 20100101 |
| Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1. | Bioorganic & medicinal chemistry 20080801 |
| Oxidation of methoxyphenethylamines by cytochrome P450 2D6. Analysis of rate-limiting steps. | The Journal of biological chemistry 20020913 |
| Oxidation of phenethylamine derivatives by cytochrome P450 2D6: the issue of substrate protonation in binding and catalysis. | Biochemistry 20011127 |
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