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Home Other Building Blocks 3-Bromophenethylamine

3-Bromophenethylamine

CAS No.:
58971-11-2
Catalog Number:
AG003751
Molecular Formula:
C8H10BrN
Molecular Weight:
200.0757
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$50
- +
10g
98%
In Stock USA
United States
$88
- +
25g
98%
In Stock USA
United States
$175
- +
100g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG003751
Chemical Name:
3-Bromophenethylamine
CAS Number:
58971-11-2
Molecular Formula:
C8H10BrN
Molecular Weight:
200.0757
MDL Number:
MFCD01310790
IUPAC Name:
2-(3-bromophenyl)ethanamine
InChI:
InChI=1S/C8H10BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChI Key:
ORHRHMLEFQBHND-UHFFFAOYSA-N
SMILES:
NCCc1cccc(c1)Br
UNII:
T535ZL7726
Properties
Complexity:
95.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.079g/mol
Monoisotopic Mass:
199g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1. Bioorganic & medicinal chemistry 20080801
Properties