Basic information
- CAS
6018-28-6- Standard SMILES
C[NH+]1CCC=C(C(=O)O)C1.[Cl-]- InChIKey
PIVDNPNYIBGXPL-UHFFFAOYSA-N- Molecular formula
- C7H12ClNO2
- Average molar mass
- 177.63 g/mol
Overview
See also: Arecaidine hydrochloride (preferred).
Names & identifiers
- Preferred name
- 1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride
- IUPAC
- 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid chloride
- English name
- Arecaidine hydrochloride
- Molecular formula
- C7H12ClNO2
- Molecular weight
- 177.63
Names & synonyms
1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid, chlorideAKOS023093304ST098725Arecaidine HClRARECHEM AX KI 5012Arecaidine hydrochlorideArecaidine hydrochloride (6CI)Arecaidine hydrochloride, 98+%Arecaidine hydrochloride, 10 mM in DMSO1,2,5,6-tetrahydro-1-methylnicotinic acid1-Methyl-1,2,5,6-tetrahydronicotinicacidHCl
Show more names
1,2,5,6-tetrahydro-1-methyl-nicotinicacihydrochloride1-Methyl-1,2,5,6-tetrahydronicotinic acid hydrochloride
Database identifiers
- CAS
6018-28-6- PubChem CID
- 22368
Properties
Computed structural properties
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 260 °C · 260°C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- Solid
- color
- White to light yellow
- Merck
- 14 · 14,777
- BRN
- 3913792 · 3913792
- Major Application
- food and beveragespharmaceutical
- InChI
- InChI=1S/C7H11NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h3H,2,4-5H2,1H3,(H,9,10);1H
- InChIKey
- PIVDNPNYIBGXPL-UHFFFAOYSA-N
- SMILES
- C1(C(=O)O)=CCCN(C)C1.Cl
- FDA UNII
- 6 QLQ4M8 · TTP6QLQ4M8
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- RTECS
- 2087000 · QT2087000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- QT2087000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesArecaidine Hydrochloride is a reactant used for the synthesis of dienone Elaeocarpus alkaloids.
Upstream & downstream products
Upstream raw materials
Suppliers98 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Shaanxi Haibo Biotechnology Co., Ltd+86-18629295024 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
成都瑞芬思德丹生物科技有限公司2355253622; 18981954830 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都麦德生科技有限公司028-82253651 18140204969 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
成都仪睿生物科技有限公司18224028459 18224028459 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
成都仪捷睿生物科技有限公司18224018291 18224018291 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
连云港康诚生物科技有限公司18151258299 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
Wuhan ChemNorm Biotech Co.,Ltd.+86-27-8439 4403 18971486879 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
5 records
Compound notes
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