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102236-18-0,MFCD07106854
Catalog No.:AA0006XH

102236-18-0 | Benzenemethanamine, 4-chloro-N-ethyl-, hydrochloride (1:1)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$170.00 $119.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0006XH
Chemical Name:
Benzenemethanamine, 4-chloro-N-ethyl-, hydrochloride (1:1)
CAS Number:
102236-18-0
Molecular Formula:
C9H13Cl2N
Molecular Weight:
206.1122
MDL Number:
MFCD07106854
SMILES:
CCNCc1ccc(cc1)Cl.Cl
Properties
Computed Properties
 
Complexity:
97.7  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Downstream Synthesis Route
4-(cyclopentylamino)-2-(methylsulfonyl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)pyrimidine-5-carboxamide 
  102236-18-0   
2-((4-chlorobenzyl)(ethyl)amino)-4-(cyclopentylamino)-N-(3-(2-oxopyrrolidin-1-yl)propyl)pyrimidine-5-carboxamide 

[1]Russ,Nadine;Schröder,Martin;Berger,Benedict-Tilman;Mandel,Sebastian;Aydogan,Yagmur;Mauer,Sandy;Pohl,Christian;Drewry,DavidH.;Chaikuad,Apirat;Müller,Susanne;Knapp,Stefan[JournalofMedicinalChemistry,2021,vol.64,#19,p.14358-14376]

[1]Russ,Nadine;Schröder,Martin;Berger,Benedict-Tilman;Mandel,Sebastian;Aydogan,Yagmur;Mauer,Sandy;Pohl,Christian;Drewry,DavidH.;Chaikuad,Apirat;Müller,Susanne;Knapp,Stefan[JournalofMedicinalChemistry,2021,vol.64,#19,p.14358-14376]

[1]Russ,Nadine;Schröder,Martin;Berger,Benedict-Tilman;Mandel,Sebastian;Aydogan,Yagmur;Mauer,Sandy;Pohl,Christian;Drewry,DavidH.;Chaikuad,Apirat;Müller,Susanne;Knapp,Stefan[JournalofMedicinalChemistry,2021,vol.64,#19,p.14358-14376]

Literature
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SDS
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Tags:102236-18-0 Molecular Formula|102236-18-0 MDL|102236-18-0 SMILES|102236-18-0 Benzenemethanamine, 4-chloro-N-ethyl-, hydrochloride (1:1)
Catalog No.: AA0006XH
102236-18-0,MFCD07106854
102236-18-0 | Benzenemethanamine, 4-chloro-N-ethyl-, hydrochloride (1:1)
Pack Size： 1g
Purity： 95%
in stock
$170.00 $119.00
Quantity
- +
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Technical Information
Catalog Number: AA0006XH
Chemical Name: Benzenemethanamine, 4-chloro-N-ethyl-, hydrochloride (1:1)
CAS Number: 102236-18-0
Molecular Formula: C9H13Cl2N
Molecular Weight: 206.1122
MDL Number: MFCD07106854
SMILES: CCNCc1ccc(cc1)Cl.Cl
Properties
Complexity: 97.7  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Downstream Synthesis Route
4-(cyclopentylamino)-2-(methylsulfonyl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)pyrimidine-5-carboxamide 
  102236-18-0   
2-((4-chlorobenzyl)(ethyl)amino)-4-(cyclopentylamino)-N-(3-(2-oxopyrrolidin-1-yl)propyl)pyrimidine-5-carboxamide 

[1]Russ,Nadine;Schröder,Martin;Berger,Benedict-Tilman;Mandel,Sebastian;Aydogan,Yagmur;Mauer,Sandy;Pohl,Christian;Drewry,DavidH.;Chaikuad,Apirat;Müller,Susanne;Knapp,Stefan[JournalofMedicinalChemistry,2021,vol.64,#19,p.14358-14376]

17972-03-1    102236-18-0 

[1]Russ,Nadine;Schröder,Martin;Berger,Benedict-Tilman;Mandel,Sebastian;Aydogan,Yagmur;Mauer,Sandy;Pohl,Christian;Drewry,DavidH.;Chaikuad,Apirat;Müller,Susanne;Knapp,Stefan[JournalofMedicinalChemistry,2021,vol.64,#19,p.14358-14376]

104-88-1    102236-18-0 

[1]Russ,Nadine;Schröder,Martin;Berger,Benedict-Tilman;Mandel,Sebastian;Aydogan,Yagmur;Mauer,Sandy;Pohl,Christian;Drewry,DavidH.;Chaikuad,Apirat;Müller,Susanne;Knapp,Stefan[JournalofMedicinalChemistry,2021,vol.64,#19,p.14358-14376]

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