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Home Halogens N-Methyl 3-chlorophenethylamine

N-Methyl 3-chlorophenethylamine

CAS No.:
52516-20-8
Catalog Number:
AG003T6N
Molecular Formula:
C9H12ClN
Molecular Weight:
169.6513
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$88
- +
5g
98%
In Stock USA
United States
$244
- +
25g
98%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG003T6N
Chemical Name:
N-Methyl 3-chlorophenethylamine
CAS Number:
52516-20-8
Molecular Formula:
C9H12ClN
Molecular Weight:
169.6513
MDL Number:
MFCD06738721
IUPAC Name:
2-(3-chlorophenyl)-N-methylethanamine
InChI:
InChI=1S/C9H12ClN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3
InChI Key:
ZAIUACXHBBABJZ-UHFFFAOYSA-N
SMILES:
CNCCc1cccc(c1)Cl
Properties
Complexity:
106  
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:
2.7  
Literature
Title Journal
Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1. Bioorganic & medicinal chemistry 20080801
Properties