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Home Halogens 3,4-Dichlorophenethylamine

3,4-Dichlorophenethylamine

CAS No.:
21581-45-3
Catalog Number:
AG003IGB
Molecular Formula:
C8H9Cl2N
Molecular Weight:
190.0698
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$62
- +
10g
98%
In Stock USA
United States
$82
- +
25g
98%
In Stock USA
United States
$150
- +
100g
98%
In Stock USA
United States
$432
- +
Product Description
Catalog Number:
AG003IGB
Chemical Name:
3,4-Dichlorophenethylamine
CAS Number:
21581-45-3
Molecular Formula:
C8H9Cl2N
Molecular Weight:
190.0698
MDL Number:
MFCD00060617
IUPAC Name:
2-(3,4-dichlorophenyl)ethanamine
InChI:
InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
InChI Key:
MQPUAVYKVIHUJP-UHFFFAOYSA-N
SMILES:
NCCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.011g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.067g/mol
Monoisotopic Mass:
189.011g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1. Bioorganic & medicinal chemistry 20080801
Properties