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166438-80-8,MFCD08690317
Catalog No.:AA001WND

166438-80-8 | 4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$261.00   $183.00
- +
5g
98%
in stock  
$942.00 $660.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001WND
Chemical Name:
4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
CAS Number:
166438-80-8
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD08690317
SMILES:
N#Cc1ccc(cc1)N1CCCN(CC1)C
Properties
Properties
 
BP:
371.5±37.0 °C(Predicted)  
Form:
Solid  
MP:
92.5-94.5  

Computed Properties
 
Complexity:
260  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Patent:US6288061,2001,B1

[2]Patent:US2008/146542,2008,A1.Locationinpatent:Page/Pagecolumn41-42

[1]Patent:WO2015/149178,2015,A1.Locationinpatent:Page/Pagecolumn10;11

Literature
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SDS
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Tags:166438-80-8 Molecular Formula|166438-80-8 MDL|166438-80-8 SMILES|166438-80-8 4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
Catalog No.: AA001WND
166438-80-8,MFCD08690317
166438-80-8 | 4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
Pack Size： 1g
Purity： 98%
in stock
$261.00 $183.00
Pack Size： 5g
Purity： 98%
in stock
$942.00 $660.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001WND
Chemical Name: 4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
CAS Number: 166438-80-8
Molecular Formula: C13H17N3
Molecular Weight: 215.2942
MDL Number: MFCD08690317
SMILES: N#Cc1ccc(cc1)N1CCCN(CC1)C
Properties
BP: 371.5±37.0 °C(Predicted)  
Form: Solid  
MP: 92.5-94.5  
Complexity: 260  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
4318-37-0    1194-02-1    166438-80-8 

[1]Patent:US6288061,2001,B1

[2]Patent:US2008/146542,2008,A1.Locationinpatent:Page/Pagecolumn41-42

4318-37-0    3058-39-7    166438-80-8 

[1]Patent:WO2015/149178,2015,A1.Locationinpatent:Page/Pagecolumn10;11

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