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Home Halogens N-Ethyl-4-chlorobenzylamine

N-Ethyl-4-chlorobenzylamine

CAS No.:
69957-83-1
Catalog Number:
AG003SZX
Molecular Formula:
C9H12ClN
Molecular Weight:
169.6513
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$119
- +
10g
98%
In Stock USA
United States
$200
- +
25g
98%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG003SZX
Chemical Name:
N-Ethyl-4-chlorobenzylamine
CAS Number:
69957-83-1
Molecular Formula:
C9H12ClN
Molecular Weight:
169.6513
MDL Number:
MFCD00045212
IUPAC Name:
N-[(4-chlorophenyl)methyl]ethanamine
InChI:
InChI=1S/C9H12ClN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChI Key:
DWQGKMSNZGJKJS-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(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:
2.6  
Literature
Title Journal
Investigation of the bioactive conformation of histamine H3 receptor antagonists by the cyclopropylic strain-based conformational restriction strategy. Journal of medicinal chemistry 20100513
Properties