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13078-80-3 | 2-(2-Chlorophenyl)ethanamine
CAS No: 13078-80-3 Catalog No: AG003ERH MDL No:MFCD00008185
Product Description
Catalog Number:
AG003ERH
Chemical Name:
2-(2-Chlorophenyl)ethanamine
CAS Number:
13078-80-3
Molecular Formula:
C8H10ClN
Molecular Weight:
155.6247
MDL Number:
MFCD00008185
IUPAC Name:
2-(2-chlorophenyl)ethanamine
InChI:
InChI=1S/C8H10ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChI Key:
RZBOMSOHMOVUES-UHFFFAOYSA-N
SMILES:
NCCc1ccccc1Cl
EC Number:
235-982-1
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:
155.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.625g/mol
Monoisotopic Mass:
155.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1. | Bioorganic & medicinal chemistry 20080801 |
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