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N- (Hydroxymethyl) nicotinamide

CAT: 0804-HY-116993-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-116993-01Size:5 g
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Description
N- (Hydroxymethyl) nicotinamide is an antimicrobic agent[1].
CAS Number
3569-99-1
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/n-hydroxymethyl-nicotinamide.html
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=CN=C1)NCO
Molecular Formula
C7H8N2O2
Molecular Weight
152.15
Precautions
H315, H319, H335
References & Citations
[1]Zhang HK, et, al. [Study on the synthesis of N-hydroxymethyl-nicotinamide]. Yao Xue Xue Bao. 1992; 27 (8) : 629-31.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(Hydroxymethyl)nicotinamide

Hydroxymethylnicotinamide is a pyridinecarboxamide. It is functionally related to a nicotinamide.

CAS Number3569-99-1
PubChem CID77116
IUPAC NameN-(hydroxymethyl)pyridine-3-carboxamide
Molecular FormulaC7H8N2O2
Molecular Weight152.15
XLogP-0.6
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1=CC(=CN=C1)C(=O)NCO
InChI
InChI=1S/C7H8N2O2/c10-5-9-7(11)6-2-1-3-8-4-6/h1-4,10H,5H2,(H,9,11)
InChIKey
JRFKIOFLCXKVOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(Hydroxymethyl)nicotinamide
CAS: 3569-99-1
CID: 77116
Formula: C7H8N2O2
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.058577502
Monoisotopic Mass152.058577502
Topological Polar Surface Area62.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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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