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15029-34-2 | 1-Piperazinepropanenitrile, 4-methyl-β-oxo-
CAS No: 15029-34-2 Catalog No: AG001MHH MDL No:MFCD02186990
Product Description
Catalog Number:
AG001MHH
Chemical Name:
1-Piperazinepropanenitrile, 4-methyl-β-oxo-
CAS Number:
15029-34-2
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD02186990
IUPAC Name:
3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H13N3O/c1-10-4-6-11(7-5-10)8(12)2-3-9/h2,4-7H2,1H3
InChI Key:
DJWSZBRFBMIGIW-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)CC#N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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