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168151-01-7 | 2-Pyrazinamine, 6-(phenylmethyl)-
CAS No: 168151-01-7 Catalog No: AG001XVE MDL No:
Product Description
Catalog Number:
AG001XVE
Chemical Name:
2-Pyrazinamine, 6-(phenylmethyl)-
CAS Number:
168151-01-7
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
IUPAC Name:
6-benzylpyrazin-2-amine
InChI:
InChI=1S/C11H11N3/c12-11-8-13-7-10(14-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,12,14)
InChI Key:
FLTCYUGQOQVMMR-UHFFFAOYSA-N
SMILES:
Nc1cncc(n1)Cc1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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