Basic information
- CAS
852-42-6- Standard SMILES
COc1ccccc1OCCOCCOCCN1CCCCC1- InChIKey
PPVFOZYARYOARE-UHFFFAOYSA-N- Molecular formula
- C18H29NO4
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.20965841
Overview
Guaiapate is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- Guaiapate
- IUPAC
- 1-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethyl]piperidine
- English name
- guaiapate
- Molecular formula
- C18H29NO4
- Molecular weight
- 323.43
Names & synonyms
Guaiapate852-42-6KlamarGuayapatoGuaiapatoGuaiapatumMg-5454BDL7R8N38DM.G. 5454Piperidine, 1-(2-(2-(2-(2-methoxyphenoxy)ethoxy)ethoxy)ethyl)-1-(2-(2-(2-(o-Methoxyphenoxy)ethoxy)ethoxy)ethyl)piperidineDTXSID10234394
Show more names
Piperidine, 1-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethyl]-
1-(2-Methoxyphenoxy)-3,6-dioxa-8-(N-piperidino)-octane1-[2-[2-[2-(O-Methoxyphenoxy)ethoxy]ethoxy]ethyl]piperidineRefChem:922570DTXCID10156885212-713-61-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethyl]piperidineKlamar;Mg 54541-(2-{2-[2-(2-methoxyphenoxy)ethoxy]ethoxy}ethyl)piperidine
Database identifiers
- CAS
852-42-6- PubChem CID
- 70066
- DTXSID
DTXSID10234394- ChEMBL
CHEMBL2106641- ChEBI
CHEBI:135375- UNII
- BDL7R8N38D
- EC Number
- 212-713-6
- Nikkaji
- J7.144G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 0.5 · bp0.5 190-193°
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 8.77 · 8.77±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 7 R8N38D · BDL7R8N38D
- Toxicity
- 50 i.p · LD50 i.p. in mice: 254 mmoles/kg (Carissimi)
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
- Toxicity
- LD50 i.p. in mice: 254 mmoles/kg (Carissimi)
Chemistry & industry
Applications
UsesAntitussive.
Suppliers8 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Guaiapate is a member of methoxybenzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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