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6-Hydroxy-N-methyl Myosmine

CAT: 0024-sc-491373Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-491373Size:100 mg
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CAS Number
68104-57-4

Chemical Information

6-hydroxy-N-methylmyosmine

6-hydroxy-N-methylmyosmine is a member of the class of pyrrolines that is N-methyl-2-pyrroline carrying a 6-hydroxypyridin-3-yl substituent at position 2. It has a role as a bacterial xenobiotic metabolite. It is a pyrroline and a monohydroxypyridine. It is a conjugate base of a 6-hydroxy-N-methylmyosmine(1+).

CAS Number68104-57-4
PubChem CID52944012
IUPAC Name5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one
Molecular FormulaC10H12N2O
Molecular Weight176.21
XLogP0.4
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity326
SMILES
CN1CCC=C1C2=CNC(=O)C=C2
InChI
InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)
InChIKey
LWGKCPAYDQWMMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-hydroxy-N-methylmyosmine
CAS: 68104-57-4
CID: 52944012
Formula: C10H12N2O
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass176.094963011
Monoisotopic Mass176.094963011
Topological Polar Surface Area32.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
279496-016-Hydroxy-N-methyl myosmine
282442-016-Methyl myosmine
0171222-Methyl Myosmine
TRC-M323100-10MG5-Methyl Myosmine
TRC-M835010-50MGMyosmine-2,4,5,6-d4
M9850-80CMyosmine-2,4,5,6-d4 (3- (1-Pyrrolin-2-yl) pyridine-2,4,5,6-d4)
MBS6093589-01Myosmine-2,4,5,6-d4 (3-(1-Pyrrolin-2-yl)pyridine-2,4,5,6-d4)
OR97388-01N-Hydroxy-6-methyl-nicotinamidine
FM26110-01Myosmine
OR849516-Hydroxy-N-methyl-1-naphthamide

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