Home Halogens N,N-Bis(2-chloroethyl)benzenemethanamine

N,N-Bis(2-chloroethyl)benzenemethanamine

CAS No.:
55-51-6
Catalog Number:
AG00DHWR
Molecular Formula:
C11H15Cl2N
Molecular Weight:
232.1495
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$349
- +
1g
95%
1 week
United States
$817
- +
Product Description
Catalog Number:
AG00DHWR
Chemical Name:
N,N-Bis(2-chloroethyl)benzenemethanamine
CAS Number:
55-51-6
Molecular Formula:
C11H15Cl2N
Molecular Weight:
232.1495
MDL Number:
MFCD00196089
IUPAC Name:
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
InChI:
InChI=1S/C11H15Cl2N/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key:
VLWJKVNMRMHPCC-UHFFFAOYSA-N
SMILES:
ClCCN(Cc1ccccc1)CCCl
EC Number:
923-860-7
UNII:
JDX1MEP6TI
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.148g/mol
Monoisotopic Mass:
231.058g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
New substituted piperazines as ligands for melanocortin receptors. Correlation to the X-ray structure of 'THIQ'. Journal of medicinal chemistry 20040826
Properties