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404-70-6 | 3-Fluorophenethylamine
CAS No: 404-70-6 Catalog No: AG003JHH MDL No:MFCD00075376
Product Description
Catalog Number:
AG003JHH
Chemical Name:
3-Fluorophenethylamine
CAS Number:
404-70-6
Molecular Formula:
C8H10FN
Molecular Weight:
139.1701
MDL Number:
MFCD00075376
IUPAC Name:
2-(3-fluorophenyl)ethanamine
InChI:
InChI=1S/C8H10FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChI Key:
AUCVZEYHEFAWHO-UHFFFAOYSA-N
SMILES:
NCCc1cccc(c1)F
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.08g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.173g/mol
Monoisotopic Mass:
139.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1. | Bioorganic & medicinal chemistry 20080801 |
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