ChemicalBook--->CAS DataBase List--->114-33-0

114-33-0

114-33-0 Structure

114-33-0 Structure
IdentificationMore
[Name]

N-METHYLNICOTINAMIDE
[CAS]

114-33-0
[Synonyms]

METHYLNICOTINAMIDE, N-
N'-METHYLNICOTINAMIDE
N-METHYLNICOTINAMIDE
Methylnicotinamide
3-Pyridinecarboxamide, N-methyl-
N-Methyl-3-pyridinecarboxamide.
3-Pyridinecarboxamide,N-methyl-(9CI)
N-Methylnicotinamide, GC 98%
N-Methylpyridine-3-carboxamide
[EINECS(EC#)]

204-046-4
[Molecular Formula]

C7H8N2O
[MDL Number]

MFCD00006384
[Molecular Weight]

136.15
[MOL File]

114-33-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow-beige crystalline powder
[Melting point ]

102-105 °C(lit.)
[Boiling point ]

250.42°C (rough estimate)
[density ]

1.1778 (rough estimate)
[refractive index ]

1.5769 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

13.97±0.46(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
[InChIKey]

ZYVXHFWBYUDDBM-UHFFFAOYSA-N
[SMILES]

C1=NC=CC=C1C(NC)=O
[CAS DataBase Reference]

114-33-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

2933.39.9200
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow-beige crystalline powder
[Uses]

N-Methylnicotinamide is a metabolite of Nicotinamide (N407750), which is a water-soluble vitamin B, incorporated within nicotinamide cofactors such as NADH and NADPH. N-Methylnicotinamide is commonly found in the human urine and is used as a biomarker to study diseases such as liver cirrhosis and type 2 diabetes.
[Definition]

ChEBI: A pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group.
[in vivo]

N-Methylnicotinamide (3-30 mg/kg, i.v., 10 min before the induction of arterial thrombosis) decreases the arterial thrombus weight, collagen induced platelet aggregation and decreases PAI-1 antigen and activity in plasma without changing t-PA activity in 2K-1C hypertensive rats[1].
N-Methylnicotinamide (30-300 mg/kg, mixed in the diet, daily for 31 days) significantly increases the liver weight, the content of NAD and total nicotinamide in liver and the content of NAD in blood in rats[3].

Animal Model:2K-1C hypertensive rats[1]
Dosage:3-30 mg/kg
Administration:i.v., 10 min before the induction of arterial thrombosis
Result:Resulted in a dose-dependent decrease of arterial thrombus weight, decreased PAI-1 antigen and activity in plasma in dose-dependent manner, whereas it did not change t-PA activity, decreased collagen induced platelet aggregation in dose-dependent manner.
Animal Model:Weanling male rats[3]
Dosage:30-300 mg/kg
Administration:mixed in the diet, daily for 31 days
Result:Significantly increased the liver weight, statistically significantly the content of NAD and total nicotinamide in liver and the content of NAD in blood in rats.
[IC 50]

Microbial Metabolite; Human Endogenous Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

N-METHYLNICOTINAMIDE(114-33-0)MS
N-METHYLNICOTINAMIDE(114-33-0)1HNMR
N-METHYLNICOTINAMIDE(114-33-0)13CNMR
N-METHYLNICOTINAMIDE(114-33-0)IR1
N-METHYLNICOTINAMIDE(114-33-0)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Methylnicotinamide, 98%(114-33-0)
[Sigma Aldrich]

114-33-0(sigmaaldrich)
[TCI AMERICA]

N-Methylnicotinamide,>98.0%(T)(114-33-0)
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