Basic information
- CAS
1005-24-9- Standard SMILES
C[n+]1cccc(C(N)=O)c1.[Cl-]- InChIKey
BWVDQVQUNNBTLK-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2O
- Average molar mass
- 172.61 g/mol
- Monoisotopic mass
- 172.0403406
Names & identifiers
- Preferred name
- 3-Carbamyl-1-methylpyridinium Chloride
- IUPAC
- 1-methylpyridin-1-ium-3-carboxamide chloride
- English name
- 3-Carbamyl-1-methylpyridinium chloride
- Molecular formula
- C7H9ClN2O
- Molecular weight
- 172.61
Names & synonyms
3-Carbamyl-1-methylpyridinium chloride1-Methylnicotinamide chlorideRefChem:499560463-670-7686-866-6686-868-7686-869-21005-24-93-carbamoyl-1-methylpyridin-1-ium chlorideTrigonellamide chloride1-methylpyridin-1-ium-3-carboxamide;chloride3-Carbamoyl-1-methylpyridinium chloride
Show more names
TRIA-662Trionellamide chlorideTRIA-662, 10 mM in DMSONicotinamide Impurity Fnicotinamidemethochloridenipecotamidemethochloride1-Methylnicotine ChlorideNicotinamide Impurity 127
Nicotinamide ChloromethylateN-Methylnicotinamide chloridePyridinium, 3-(aminocarbonyl)-1-methyl-, chlorideMFCD00060042L54XNJ1D5GPyridinium, 3-(aminocarbonyl)-1-methyl-, chloride (1:1)METHYL NIACINAMIDE CHLORIDEM0375
Database identifiers
- CAS
1005-24-9、1063-92-9- PubChem CID
- 70495
- ChEMBL
Properties
Computed structural properties
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 207 · 207-209℃ (water acetone )
- storage temp.
- room temp
- solubility
- 2 O: · H2O: soluble15mg/mL, clear
- form
- crystalline
- color
- white
- Water Solubility
- almost transparency
- Merck
- 14 · 14,9693
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN PROTECTING
- InChI
- 1S/C7H8N2O.ClH/c1-9-4-2-3-6(5-9)7(8)10;/h2-5H,1H3,(H-,8,10);1H
- InChIKey
- BWVDQVQUNNBTLK-UHFFFAOYSA-N
- SMILES
- Cl.[n+]1(cc(ccc1)C(=N)[O-])C
- CAS DataBase Reference
- 1005 · 1005-24-9(CAS DataBase Reference)
- FDA UNII
- 54 XNJ1D5G · L54XNJ1D5G
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Hazard information
Regulatory Information
Regulation (EC) No 178/2002 (amended)
REACH registered substance: 3-Carbamyl-1-methylpyridinium Chloride (EC: 463-670-7)
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Eye Irrit. 2 (100%)
Eye Irrit. 2 (100%)
Eye Irrit. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- UU1925000
- hs_code
- 2933.39.9200
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
DescriptionNicotinamide is a precursor of NAD and NADP , which serve essential functions in modulating cellular redox status and controlling signaling and transcriptional events. 1-Methylnicotinamide (MNA) is a primary metabolite of nicotinamide produced by the action of nicotinamide N-methyltransferase (NNMT; ). It demonstrates antithrombotic and anti-inflammatory properties through direct action on the endothelium by a mechanism involving the prostacyclin pathway and by improving nitric oxide bioavailability. Aggressive cancer cell lines are reported to have higher levels of MNA due to increased NNMT-directed transfer of methyl groups from S-adenosyl-L-methionine to nicotinamide, implicating a role for MNA in cancer cell metabolism.
Uses1-Methylnicotinamide chloride may be used as a standard in the quantification of 1-methylnicotinamide in urine samples using ion pairing reverse-phase high performance liquid chromatography (RP-HPLC).
UsesNicotinamide is a precursor of NAD and NADP , which serve essential functions in modulating cellular redox status and controlling signaling and transcriptional events. 1-Methylnicotinamide (MNA) is a primary metabolite of nicotinamide produced by the action of nicotinamide N-methyltransferase (NNMT; ). It demonstrates antithrombotic and anti-inflammatory properties through direct action on the endothelium by a mechanism involving the prostacyclin pathway and by improving nitric oxide bioavailability. Aggressive cancer cell lines are reported to have higher levels of MNA due to increased NNMT-directed transfer of methyl groups from S-adenosyl-L-methionine to nicotinamide, implicating a role for MNA in cancer cell metabolism.
General Description1-Methylnicotinamide (MNA) is a primary metabolite of nicotinamide produced mainly by nicotinamide N-methyltransferase (NNMT) and exhibits antithrombotic and anti-inflammatory effects.
Suppliers97 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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