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54714-50-0,MFCD00014115
Catalog No.:AA00DEKX

54714-50-0 | 2-(Azepan-1-yl)acetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$211.00   $148.00
- +
5g
95%
in stock  
$643.00 $450.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DEKX
Chemical Name:
2-(Azepan-1-yl)acetonitrile
CAS Number:
54714-50-0
Molecular Formula:
C8H14N2
Molecular Weight:
138.2102
MDL Number:
MFCD00014115
SMILES:
N#CCN1CCCCCC1
NSC Number:
74468
Properties
Computed Properties
 
Complexity:
125  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Welvart[BulletindelaSocieteChimiquedeFrance,1955,p.218]

54714-50-0    37619-24-2   
2-azepan-1-yl-3-(1-methyl-1<i>H</i>-pyrrol-2-yl)-3-oxo-propionitrile 

[1]OrganicLetters,2002,vol.4,p.1103-1105

[1]CurrentPatentAssignee:THEUNIVERSITYOFAUCKLAND-WO2006/104406,2006,A1Locationinpatent:Page/Pagecolumn168

Literature
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SDS
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Tags:54714-50-0 Molecular Formula|54714-50-0 MDL|54714-50-0 SMILES|54714-50-0 2-(Azepan-1-yl)acetonitrile
Catalog No.: AA00DEKX
54714-50-0,MFCD00014115
54714-50-0 | 2-(Azepan-1-yl)acetonitrile
Pack Size： 1g
Purity： 95%
in stock
$211.00 $148.00
Pack Size： 5g
Purity： 95%
in stock
$643.00 $450.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DEKX
Chemical Name: 2-(Azepan-1-yl)acetonitrile
CAS Number: 54714-50-0
Molecular Formula: C8H14N2
Molecular Weight: 138.2102
MDL Number: MFCD00014115
SMILES: N#CCN1CCCCCC1
NSC Number: 74468
Properties
Complexity: 125  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Downstream Synthesis Route
54714-50-0    64-17-5    51388-00-2 

[1]Welvart[BulletindelaSocieteChimiquedeFrance,1955,p.218]

54714-50-0    37619-24-2   
2-azepan-1-yl-3-(1-methyl-1<i>H</i>-pyrrol-2-yl)-3-oxo-propionitrile 

[1]OrganicLetters,2002,vol.4,p.1103-1105

54714-50-0    51388-00-2 

[1]CurrentPatentAssignee:THEUNIVERSITYOFAUCKLAND-WO2006/104406,2006,A1Locationinpatent:Page/Pagecolumn168

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