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72357-67-6 | N-(PYRIDIN-3-YLMETHYL)GUANIDINE
CAS No: 72357-67-6 Catalog No: AG005HZP MDL No:MFCD08059999
Product Description
Catalog Number:
AG005HZP
Chemical Name:
N-(PYRIDIN-3-YLMETHYL)GUANIDINE
CAS Number:
72357-67-6
Molecular Formula:
C7H10N4
Molecular Weight:
150.1811
MDL Number:
MFCD08059999
IUPAC Name:
2-(pyridin-3-ylmethyl)guanidine
InChI:
InChI=1S/C7H10N4/c8-7(9)11-5-6-2-1-3-10-4-6/h1-4H,5H2,(H4,8,9,11)
InChI Key:
IRXOVUKSPWZRJB-UHFFFAOYSA-N
SMILES:
NC(=N)NCc1cccnc1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.091g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.185g/mol
Monoisotopic Mass:
150.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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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