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19833-47-7 | 2-Pyrazinemethanol, α-ethyl-6-hydroxy-α-methyl-5-(2-methylpropyl)-, 1-oxide
CAS No: 19833-47-7 Catalog No: AG002BFJ MDL No:
Product Description
Catalog Number:
AG002BFJ
Chemical Name:
2-Pyrazinemethanol, α-ethyl-6-hydroxy-α-methyl-5-(2-methylpropyl)-, 1-oxide
CAS Number:
19833-47-7
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
IUPAC Name:
1-hydroxy-6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)pyrazin-2-one
InChI:
InChI=1S/C12H20N2O3/c1-5-12(4,16)10-7-13-9(6-8(2)3)11(15)14(10)17/h7-8,16-17H,5-6H2,1-4H3
InChI Key:
ARNQMQXMJRUMRP-UHFFFAOYSA-N
SMILES:
CCC(c1cnc(c([n+]1[O-])O)CC(C)C)(O)C
NSC Number:
127445
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| 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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