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114222-99-0 | 1-Piperazinebutanamine, 4-(6-chloro-2-pyrazinyl)-
CAS No: 114222-99-0 Catalog No: AG000AVH MDL No:
Product Description
Catalog Number:
AG000AVH
Chemical Name:
1-Piperazinebutanamine, 4-(6-chloro-2-pyrazinyl)-
CAS Number:
114222-99-0
Molecular Formula:
C12H20ClN5
Molecular Weight:
269.7737
IUPAC Name:
4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butan-1-amine
InChI:
InChI=1S/C12H20ClN5/c13-11-9-15-10-12(16-11)18-7-5-17(6-8-18)4-2-1-3-14/h9-10H,1-8,14H2
InChI Key:
PREZZDVZCHONSS-UHFFFAOYSA-N
SMILES:
NCCCCN1CCN(CC1)c1cncc(n1)Cl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.777g/mol
Monoisotopic Mass:
269.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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