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872047-67-1 | Quinoxalin-6-ylmethanamine
CAS No: 872047-67-1 Catalog No: AG004N2I MDL No:MFCD06801282
Product Description
Catalog Number:
AG004N2I
Chemical Name:
Quinoxalin-6-ylmethanamine
CAS Number:
872047-67-1
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD06801282
IUPAC Name:
quinoxalin-6-ylmethanamine
InChI:
InChI=1S/C9H9N3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6,10H2
InChI Key:
LNYPHLYYOBNSPF-UHFFFAOYSA-N
SMILES:
NCc1ccc2c(c1)nccn2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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