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157459-51-3 | 1-Piperazinecarboxamide, 4-(2-propen-1-yl)-
CAS No: 157459-51-3 Catalog No: AG001PG8 MDL No:
Product Description
Catalog Number:
AG001PG8
Chemical Name:
1-Piperazinecarboxamide, 4-(2-propen-1-yl)-
CAS Number:
157459-51-3
Molecular Formula:
C8H15N3O
Molecular Weight:
169.2242
IUPAC Name:
4-prop-2-enylpiperazine-1-carboxamide
InChI:
InChI=1S/C8H15N3O/c1-2-3-10-4-6-11(7-5-10)8(9)12/h2H,1,3-7H2,(H2,9,12)
InChI Key:
VRGLKMGVFZMMKI-UHFFFAOYSA-N
SMILES:
C=CCN1CCN(CC1)C(=O)N
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.122g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.228g/mol
Monoisotopic Mass:
169.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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