Home Nitriles 3-oxo-3-(piperazin-1-yl)propanenitrile hydrochloride

3-oxo-3-(piperazin-1-yl)propanenitrile hydrochloride

CAS No.:
1394042-17-1
Catalog Number:
AG01A07T
Molecular Formula:
C7H12ClN3O
Molecular Weight:
189.6427
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Product Description
Catalog Number:
AG01A07T
Chemical Name:
3-oxo-3-(piperazin-1-yl)propanenitrile hydrochloride
CAS Number:
1394042-17-1
Molecular Formula:
C7H12ClN3O
Molecular Weight:
189.6427
MDL Number:
MFCD22378654
IUPAC Name:
3-oxo-3-piperazin-1-ylpropanenitrile;hydrochloride
InChI:
InChI=1S/C7H11N3O.ClH/c8-2-1-7(11)10-5-3-9-4-6-10;/h9H,1,3-6H2;1H
InChI Key:
CFNLENITWHTTII-UHFFFAOYSA-N
SMILES:
N#CCC(=O)N1CCNCC1.Cl
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.067g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.643g/mol
Monoisotopic Mass:
189.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties