Basic information
- CAS
499-04-7- Standard SMILES
CN1CCC=C(C(=O)O)C1- InChIKey
DNJFTXKSFAMXQF-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Overview
Arecaidine is a citraconoyl group.
Names & identifiers
- Preferred name
- Arecaidine
- IUPAC
- 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
- English name
- Arecaidine
- Molecular formula
- C7H11NO2
- Molecular weight
- 141.17
Names & synonyms
Arecaidine499-04-7ArecaineMethylguvacineN-Methylguvacine1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid1,2,5,6-Tetrahydro-1-methylnicotinic acid1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid0S8YEV0D4ONSC-76017DTXSID60198139NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-
Show more names
RMA-340N-Methylguvacine、ArecaineARECAIDINE BUT-2-YNYL ESTER TOSYLATE1,2,5,6-tetrahydro-1-methyl-nicotinicaci
1-methyl-5,6-dihydro-2H-pyridine-3-carboxylic acidRefChem:113798DTXCID401206301-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acidNSC 76017NSC76017CHEMBL432561
Database identifiers
- CAS
499-04-7、6018-28-6- PubChem CID
- 10355
- DTXSID
DTXSID60198139- ChEMBL
CHEMBL432561- ChEBI
CHEBI:2813- UNII
- 0S8YEV0D4O
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
Melting Point223 - 224 °C
Physical DescriptionSolid
Dissociation Constants9.07
Physicochemical properties
- Melting point
- 232 °C · 232°C (dec.)
- Boiling point
- 104 · 104-112℃ (14-16 Torr)
- Density
- 1.166 · 1.166±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.5026 · 1.5026 (estimate)
- Flash point
- 115.1 · 115.1±25.9℃
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.07 · pKa 9.07(H2O t=25)(Approximate)
- color
- Plates from dil alc
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
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- Toxicity
- sce-mus-ipr 1 g/kg/5D-I CALEDQ 23,189,84
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesA metabolite of Arecoline, a cholinergic agonist.
UsesArecaidine but-2-ynyl ester tosylate is a potent, selective mAChR M2 activator.
Suppliers100 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
曼顿生物科技（深圳）有限公司+86-75589664337 +86-15112661142 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…