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Home Nitriles 3-(4-formylpiperazin-1-yl)-3-oxopropanenitrile

3-(4-formylpiperazin-1-yl)-3-oxopropanenitrile

CAS No.:
733030-87-0
Catalog Number:
AG019L16
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
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Product Description
Catalog Number:
AG019L16
Chemical Name:
3-(4-formylpiperazin-1-yl)-3-oxopropanenitrile
CAS Number:
733030-87-0
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD04635876
IUPAC Name:
3-(4-formylpiperazin-1-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H11N3O2/c9-2-1-8(13)11-5-3-10(7-12)4-6-11/h7H,1,3-6H2
InChI Key:
GBZJYOHCLWTKDQ-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)C(=O)CC#N
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties