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Home Nitriles 2-(4-methoxyphenyl)-2-(piperazin-1-yl)acetonitrile

2-(4-methoxyphenyl)-2-(piperazin-1-yl)acetonitrile

CAS No.:
55829-49-7
Catalog Number:
AG019PC2
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
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Product Description
Catalog Number:
AG019PC2
Chemical Name:
2-(4-methoxyphenyl)-2-(piperazin-1-yl)acetonitrile
CAS Number:
55829-49-7
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
MDL Number:
MFCD08271828
IUPAC Name:
2-(4-methoxyphenyl)-2-piperazin-1-ylacetonitrile
InChI:
InChI=1S/C13H17N3O/c1-17-12-4-2-11(3-5-12)13(10-14)16-8-6-15-7-9-16/h2-5,13,15H,6-9H2,1H3
InChI Key:
TXEHYUXSMJPJQG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(N1CCNCC1)C#N
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties