6-Methylnicotinamide
Basic information
- CAS
6960-22-1- Standard SMILES
Cc1ccc(C(N)=O)cn1- InChIKey
IJXDURUAYOKSIS-UHFFFAOYSA-N- Molecular formula
- C7H8N2O
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.06366288
Names & identifiers
- Preferred name
- 6-Methylnicotinamide
- IUPAC
- 6-methylpyridine-3-carboxamide
- English name
- 6-Methylnicotinamide
- Molecular formula
- C7H8N2O
- Molecular weight
- 136.15
Names & synonyms
6-Methylnicotinamide6960-22-1DTXSID00219877RefChem:105043DTXCID50142368624-639-56-methylpyridine-3-carboxamide3-Pyridinecarboxamide, 6-methyl-MFCD000063422-Methylpyridine-5-carboxamideOprea1_578035CHEMBL4204179
Show more names
6-MethyInicotinamideNicotinamide, 6-methyl-6-Methylnicotinamide>Nicotinamide Impurity 66-Methylnicotinamide,98%5-CARBOXAMIDO-2-PICOLINE6-Methylnicotinamide 98%Nicotinamide Impurity 1416-Methylnicotinic Acid AMide
NSC697976-Methylpyridine-3-carboxamide, 98%PD166625SY023122Z574935396-methyl-3-pyridinecarboxamide8EJ6-methyl nicotinamide
Database identifiers
- CAS
6960-22-1- PubChem CID
- 96351
- DTXSID
DTXSID00219877- ChEMBL
CHEMBL4204179- EC Number
- 624-639-5
- Nikkaji
- J364.665C
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 197 · 197-199 °C(lit.)
- Boiling point
- 289.4 · 289.4±28.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 50 mg/mL, · water: soluble50mg/mL, clear to slightly hazy, colorless to light yellow
- form
- Solid
- pka
- 15.04 · 15.04±0.50(Predicted)
- color
- Plae Beige to Pale Orange
- Water Solubility
- 50 mg/mL, · water: soluble 50mg/mL, clear to slightly hazy, colorless to light yellow
- BRN
- 112050 · 112050
- InChI
- 1S/C7H8N2O/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)
- InChIKey
- IJXDURUAYOKSIS-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cn1)C(N)=O
- CAS DataBase Reference
- 6960 · 6960-22-1(CAS DataBase Reference)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information3-Pyridinecarboxamide, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
UsesA nicotinamide derivative that inhibits state 3 respiration in isolated rat liver mitochondria. It is toxic to rat B65 neuroblastoma cells and is used in studies associated with early symptoms of Parkinson''s disease.
Uses6-Methylpyridine-3-carboxamide may be used in chemical synthesis studies.
Uses6-Methylnicotinamide is a nicotinamide derivative that inhibits state 3 respiration in isolated rat liver mitochondria. It is toxic to rat B65 neuroblastoma cells and is used in studies associated with early symptoms of Parkinson's disease.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
10 records
Compound notes
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