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1353956-31-6 | 2-(2-Hydroxy-ethylamino)-1-pyrazin-2-yl-ethanone
CAS No: 1353956-31-6 Catalog No: AG01F9IS MDL No:
Product Description
Catalog Number:
AG01F9IS
Chemical Name:
2-(2-Hydroxy-ethylamino)-1-pyrazin-2-yl-ethanone
CAS Number:
1353956-31-6
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
IUPAC Name:
2-(2-hydroxyethylamino)-1-pyrazin-2-ylethanone
InChI:
InChI=1S/C8H11N3O2/c12-4-3-10-6-8(13)7-5-9-1-2-11-7/h1-2,5,10,12H,3-4,6H2
InChI Key:
ZKJDWRPHKXJMBR-UHFFFAOYSA-N
SMILES:
OCCNCC(=O)c1cnccn1
Properties
Complexity:
164
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:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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