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38171-31-2 | N-Methyl-4-chlorophenethylamine
CAS No: 38171-31-2 Catalog No: AG003T6T MDL No:MFCD06738716
Product Description
Catalog Number:
AG003T6T
Chemical Name:
N-Methyl-4-chlorophenethylamine
CAS Number:
38171-31-2
Molecular Formula:
C9H12ClN
Molecular Weight:
169.6513
MDL Number:
MFCD06738716
IUPAC Name:
2-(4-chlorophenyl)-N-methylethanamine
InChI:
InChI=1S/C9H12ClN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChI Key:
VCSUCPDSYSXLEX-UHFFFAOYSA-N
SMILES:
CNCCc1ccc(cc1)Cl
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:
169.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.652g/mol
Monoisotopic Mass:
169.066g/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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