Basic information
- CAS
6013-57-6- Standard SMILES
Br.CN1CCC=C(C(=O)O)C1- InChIKey
BZFFCPUUBJMUSS-UHFFFAOYSA-N- Molecular formula
- C7H12BrNO2
- Average molar mass
- 222.08 g/mol
- Monoisotopic mass
- 221.00514072
Names & identifiers
- Preferred name
- Arecaidine hydrobromide
- IUPAC
- 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrobromide
- English name
- Arecaidine HydrobroMide
- Molecular formula
- C7H12BrNO2
- Molecular weight
- 222.08
Names & synonyms
Arecaidine hydrobromide6013-57-6UNII-19780T71TJ19780T71TJNicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, hydrobromideDTXSID702088741,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid hydrobromide3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, hydrobromide3-PYRIDINECARBOXYLIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, HYDROBROMIDE (1:1)RefChem:113799DTXCID20131365Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, hydrobromide (8CI)
Show more names
Arecaidine (hydrobromide)1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrobromide1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid hydrobromideorb2277467SCHEMBL9568894HY-N2368BBZFFCPUUBJMUSS-UHFFFAOYSA-NDA-61197
Database identifiers
- CAS
6013-57-6- PubChem CID
- 201453
- DTXSID
DTXSID70208874- UNII
- 19780T71TJ
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 245 °C · >245°C (dec.)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- Off-White to Yellow
- FDA UNII
- 19780 T71TJ · 19780T71TJ
Chemistry & industry
Applications
UsesA metabolite of Arecoline, a cholinergic agonist.
Suppliers11 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
成都仪睿生物科技有限公司18224028459 18224028459 · [email protected]
成都仪捷睿生物科技有限公司18224018291 18224018291 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-19891622721 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
1 records
Compound notes
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