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13258-63-4 | 4-Pyridineethanamine
CAS No: 13258-63-4 Catalog No: AG0010VQ MDL No:MFCD00038045
Product Description
Catalog Number:
AG0010VQ
Chemical Name:
4-Pyridineethanamine
CAS Number:
13258-63-4
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
MDL Number:
MFCD00038045
IUPAC Name:
2-pyridin-4-ylethanamine
InChI:
InChI=1S/C7H10N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1,4,8H2
InChI Key:
IDLHTECVNDEOIY-UHFFFAOYSA-N
SMILES:
NCCc1ccncc1
UNII:
J9DW3V2TJD
NSC Number:
194298
Properties
Complexity:
67.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
122.171g/mol
Monoisotopic Mass:
122.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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