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145689-96-9 | 5-Isoxazolemethanamine, 3-ethyl-
CAS No: 145689-96-9 Catalog No: AG001DB3 MDL No:MFCD07801103
Product Description
Catalog Number:
AG001DB3
Chemical Name:
5-Isoxazolemethanamine, 3-ethyl-
CAS Number:
145689-96-9
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
MDL Number:
MFCD07801103
IUPAC Name:
(3-ethyl-1,2-oxazol-5-yl)methanamine
InChI:
InChI=1S/C6H10N2O/c1-2-5-3-6(4-7)9-8-5/h3H,2,4,7H2,1H3
InChI Key:
LZSPQVFNMYRNEU-UHFFFAOYSA-N
SMILES:
CCc1noc(c1)CN
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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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