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55-51-6,MFCD00196089
Catalog No.:AA00DHTZ

55-51-6 | N,N-Bis(2-chloroethyl)benzenemethanamine

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DHTZ
Chemical Name:
N,N-Bis(2-chloroethyl)benzenemethanamine
CAS Number:
55-51-6
Molecular Formula:
C11H15Cl2N
Molecular Weight:
232.1495
MDL Number:
MFCD00196089
SMILES:
ClCCN(Cc1ccccc1)CCCl
Properties
Computed Properties
 
Complexity:
129  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Literature

Title: New substituted piperazines as ligands for melanocortin receptors. Correlation to the X-ray structure of 'THIQ'.

Journal: Journal of medicinal chemistry 20040826

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SDS
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Tags:55-51-6 Molecular Formula|55-51-6 MDL|55-51-6 SMILES|55-51-6 N,N-Bis(2-chloroethyl)benzenemethanamine
Catalog No.: AA00DHTZ
55-51-6,MFCD00196089
55-51-6 | N,N-Bis(2-chloroethyl)benzenemethanamine
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00DHTZ
Chemical Name: N,N-Bis(2-chloroethyl)benzenemethanamine
CAS Number: 55-51-6
Molecular Formula: C11H15Cl2N
Molecular Weight: 232.1495
MDL Number: MFCD00196089
SMILES: ClCCN(Cc1ccccc1)CCCl
Properties
Complexity: 129  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
Literature fold

Title: New substituted piperazines as ligands for melanocortin receptors. Correlation to the X-ray structure of 'THIQ'.

Journal: Journal of medicinal chemistry20040826

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