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725683-06-7 | 2-(4-Bromophenyl);-N-methylethanamine
CAS No: 725683-06-7 Catalog No: AG005G2U MDL No:MFCD06738718
Product Description
Catalog Number:
AG005G2U
Chemical Name:
2-(4-Bromophenyl);-N-methylethanamine
CAS Number:
725683-06-7
Molecular Formula:
C9H12BrN
Molecular Weight:
214.1023
MDL Number:
MFCD06738718
IUPAC Name:
2-(4-bromophenyl)-N-methylethanamine
InChI:
InChI=1S/C9H12BrN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChI Key:
CJLDHHONSQXJTC-UHFFFAOYSA-N
SMILES:
CNCCc1ccc(cc1)Br
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.106g/mol
Monoisotopic Mass:
213.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1. | Bioorganic & medicinal chemistry 20080801 |
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