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1187890-40-9,MFCD17872843
Catalog No.:AA00HENP

1187890-40-9 | 3-(4-BOC-Piperazinocarbonyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$361.00   $253.00
- +
5g
95%
in stock  
$1,281.00 $897.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00HENP
Chemical Name:
3-(4-BOC-Piperazinocarbonyl)benzonitrile
CAS Number:
1187890-40-9
Molecular Formula:
C17H21N3O3
Molecular Weight:
315.3669
MDL Number:
MFCD17872843
SMILES:
N#Cc1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
495  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Literature
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SDS
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Tags:1187890-40-9 Molecular Formula|1187890-40-9 MDL|1187890-40-9 SMILES|1187890-40-9 3-(4-BOC-Piperazinocarbonyl)benzonitrile
Catalog No.: AA00HENP
1187890-40-9,MFCD17872843
1187890-40-9 | 3-(4-BOC-Piperazinocarbonyl)benzonitrile
Pack Size： 1g
Purity： 95%
in stock
$361.00 $253.00
Pack Size： 5g
Purity： 95%
in stock
$1,281.00 $897.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00HENP
Chemical Name: 3-(4-BOC-Piperazinocarbonyl)benzonitrile
CAS Number: 1187890-40-9
Molecular Formula: C17H21N3O3
Molecular Weight: 315.3669
MDL Number: MFCD17872843
SMILES: N#Cc1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity: 495  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 23  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
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