Home Nitriles 3-(4-ethylpiperazin-1-yl)propanenitrile

3-(4-ethylpiperazin-1-yl)propanenitrile

CAS No.:
4491-93-4
Catalog Number:
AG019MVR
Molecular Formula:
C9H17N3
Molecular Weight:
167.2514
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Product Description
Catalog Number:
AG019MVR
Chemical Name:
3-(4-ethylpiperazin-1-yl)propanenitrile
CAS Number:
4491-93-4
Molecular Formula:
C9H17N3
Molecular Weight:
167.2514
MDL Number:
MFCD09928036
IUPAC Name:
3-(4-ethylpiperazin-1-yl)propanenitrile
InChI:
InChI=1S/C9H17N3/c1-2-11-6-8-12(9-7-11)5-3-4-10/h2-3,5-9H2,1H3
InChI Key:
XBRHNEAYPCDRAS-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)CCC#N
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.142g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.256g/mol
Monoisotopic Mass:
167.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties