Home Amines 21581-45-3
21581-45-3,MFCD00060617
Catalog No.:AA003IDJ
21581-45-3 | 3,4-Dichlorophenethylamine
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$29.00   $20.00
- +
5g
98%
in stock  
$70.00   $49.00
- +
10g
98%
in stock  
$93.00   $65.00
- +
25g
98%
in stock  
$172.00   $120.00
- +
100g
98%
in stock  
$548.00   $384.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IDJ
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
Computed 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  

Synonyms
 
3,4-Dichlorophenethylamine 
2-(3,4-Dichlorophenyl)ethanamine 
1-Amino-2-(3,4-dichlorophenyl)ethane 
3,4-Dichlorophenethylamine, 99% 
42J 
PubChem12521 
ACMC-1APIS 
3,4-dichloropenylethylamine 
AC1L53QK 
3,4-dichlorobenzylmethylamine 
KSC208A0R 
SCHEMBL184185 
21581-45-3 
AC1Q3O92 
CTK1A8008 
2-(3,4-dichloropheny)ethanamine 
DTXSID60276921 
3,4-Dichlorophenethylamine, 97% 
ZINC404238 
2-(3,4-dichlorophenyl)-ethylamine 
KS-00000D5V 
ANW-24499 
BDBM50029105 
2-(3,4-Dichlorophenyl)ethylamine 
MFCD00060617 
RW3200 
SBB003664 
[2-(3,4-dichlorophenyl)ethyl]amine 
2-(3,4-Dichlorophenyl)ethanamine # 
2-(3,4-dichloro-phenyl) ethyl amine 
AKOS000160934 
ACN-050966 
GS-4165 
LS11236 
2-(3,4-dichlorophenyl)ethan-1-amine 
RP24958 
RTR-033323 
TRA0043566 
4-(2-Aminoethyl)-1,2-dichlorobenzene 
AJ-22290 
BR-48033 
SC-40290 
SY016994 
AB0023428 
DB-006275 
2-(3,4-Dichloro-phenyl)-ethylamine 
DB-052899 
ST2403846 
TR-033323 
D2927 
FT-0081353 
FT-0650804 
ST50406092 
W4479 
C-5525 
MFCD00060617 (97+%) 
CHEMBL147230 
J-505722 
C8H9Cl2N 
(3,4-Dichlorobenzyl)methylamine 
AR-1C7067 
CID217958 
(3,4-DICHLORO-PHENYL)-ETHYL-AMINE 
3,4-Dichlorophenethylamine, 98% - 1G 1g 
5635-67-6 
17847-40-4 
24667-07-0 
Benzeneethanamine, 3,4-dichloro- 
MQPUAVYKVIHUJP-UHFFFAOYSA-N 
2-(3,4,-Dichlorophenyl)Ethylamine 
Literature

Title: Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1.

Journal: Bioorganic & medicinal chemistry 20080801

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