Home Nitriles 4-(4-methylpiperazine-1-carbonyl)benzonitrile

4-(4-methylpiperazine-1-carbonyl)benzonitrile

CAS No.:
1000932-49-9
Catalog Number:
AG019LEN
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
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Product Description
Catalog Number:
AG019LEN
Chemical Name:
4-(4-methylpiperazine-1-carbonyl)benzonitrile
CAS Number:
1000932-49-9
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
MDL Number:
MFCD03975533
IUPAC Name:
4-(4-methylpiperazine-1-carbonyl)benzonitrile
InChI:
InChI=1S/C13H15N3O/c1-15-6-8-16(9-7-15)13(17)12-4-2-11(10-14)3-5-12/h2-5H,6-9H2,1H3
InChI Key:
LROHRAWHVXIYAH-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1ccc(cc1)C#N
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties