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28620-27-1 | 1(2H)-Pyridineethanol, 2-imino-α-(phenoxymethyl)-
CAS No: 28620-27-1 Catalog No: AG002VVJ MDL No:
Product Description
Catalog Number:
AG002VVJ
Chemical Name:
1(2H)-Pyridineethanol, 2-imino-α-(phenoxymethyl)-
CAS Number:
28620-27-1
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
1-(2-iminopyridin-1-yl)-3-phenoxypropan-2-ol
InChI:
InChI=1S/C14H16N2O2/c15-14-8-4-5-9-16(14)10-12(17)11-18-13-6-2-1-3-7-13/h1-9,12,15,17H,10-11H2
InChI Key:
QDHFHBIBVRWJLD-UHFFFAOYSA-N
SMILES:
OC(Cn1ccccc1=N)COc1ccccc1
NSC Number:
107367
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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