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893611-67-1 | 5-Bromo-3-(piperazin-1-yl)pyrazin-2-amine
CAS No: 893611-67-1 Catalog No: AG003XQ5 MDL No:MFCD08056162
Product Description
Catalog Number:
AG003XQ5
Chemical Name:
5-Bromo-3-(piperazin-1-yl)pyrazin-2-amine
CAS Number:
893611-67-1
Molecular Formula:
C8H12BrN5
Molecular Weight:
258.1184
MDL Number:
MFCD08056162
IUPAC Name:
5-bromo-3-piperazin-1-ylpyrazin-2-amine
InChI:
InChI=1S/C8H12BrN5/c9-6-5-12-7(10)8(13-6)14-3-1-11-2-4-14/h5,11H,1-4H2,(H2,10,12)
InChI Key:
UMJBQCDGKLHYPT-UHFFFAOYSA-N
SMILES:
Nc1ncc(nc1N1CCNCC1)Br
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.123g/mol
Monoisotopic Mass:
257.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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