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N-(2-Hydroxyethyl)nicotinamide

CAT: 0572-TRC-H942365-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H942365-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6265-73-2
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
OCCNC(=O)c1cccnc1
Molecular Formula
C8 H10 N2 O2
Molecular Weight
166.18
InChI
InChI=1S/C8H10N2O2/c11-5-4-10-8(12)7-2-1-3-9-6-7/h1-3,6,11H,4-5H2,(H,10,12)
Additionnal Information
IUPAC name: N-(2-hydroxyethyl)pyridine-3-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-(2-hydroxyethyl)nicotinamide

metabolite of SG-75; structure given in first source

CAS Number6265-73-2
PubChem CID72663
IUPAC NameN-(2-hydroxyethyl)pyridine-3-carboxamide
Molecular FormulaC8H10N2O2
Molecular Weight166.18
XLogP-0.1
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity150
SMILES
C1=CC(=CN=C1)C(=O)NCCO
InChI
InChI=1S/C8H10N2O2/c11-5-4-10-8(12)7-2-1-3-9-6-7/h1-3,6,11H,4-5H2,(H,10,12)
InChIKey
SJZLOWYUGKIWAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-hydroxyethyl)nicotinamide
CAS: 6265-73-2
CID: 72663
Formula: C8H10N2O2
MW: 166.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.18
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.074227566
Monoisotopic Mass166.074227566
Topological Polar Surface Area62.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity150
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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