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137495-65-9 | 2-Pyridineethanamine, N-methyl-N-(2-pyridinylmethyl)-
CAS No: 137495-65-9 Catalog No: AG0013DK MDL No:
Product Description
Catalog Number:
AG0013DK
Chemical Name:
2-Pyridineethanamine, N-methyl-N-(2-pyridinylmethyl)-
CAS Number:
137495-65-9
Molecular Formula:
C14H17N3
Molecular Weight:
227.3049
IUPAC Name:
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
InChI:
InChI=1S/C14H17N3/c1-17(12-14-7-3-5-10-16-14)11-8-13-6-2-4-9-15-13/h2-7,9-10H,8,11-12H2,1H3
InChI Key:
ZPXPSSFYVZFPKL-UHFFFAOYSA-N
SMILES:
CN(Cc1ccccn1)CCc1ccccn1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.311g/mol
Monoisotopic Mass:
227.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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