Basic information
- CAS
22103-14-6- Standard SMILES
CC(CCc1ccccc1)NC(C)C(O)c1cc(I)c(O)c(I)c1- InChIKey
RFIXURDMUINBMD-UHFFFAOYSA-N- Molecular formula
- C19H23I2NO2
- Average molar mass
- 551.2 g/mol
- Monoisotopic mass
- 550.98182
Overview
Bufeniode is an alkylbenzene.
Names & identifiers
- Preferred name
- Bufeniode
- IUPAC
- 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2,6-diiodophenol
- English name
- bufeniode
- Molecular formula
- C19H23I2NO2
- Molecular weight
- 551.196
Names & synonyms
BufeniodeDiiodobuphenine22103-14-6BufeniodoHF 241BufeniodumHF-241JC82071PQS1-(4-Hydroxy-3,5-diiodophenyl)-2-(1-methyl-3-phenylpropylamino)propanoldiiodobufenineRefChem:121851244-781-8
Show more names
4-[1-Hydroxy-2-(1-methyl-3-phenylpropylamino)propyl]-2,6-diiodophenol
Bufeniod4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2,6-diiodophenolProclivalDiastalBufeniode [INN:DCF]Bufeniodum [INN-Latin]Bufeniodo [INN-Spanish]EINECS 244-781-8
Database identifiers
- CAS
22103-14-6- PubChem CID
- 72087
- DTXSID
DTXSID80865033- ChEMBL
CHEMBL2105461- ChEBI
CHEBI:135827- UNII
- JC82071PQS
- EC Number
- 244-781-8
- Nikkaji
- J11.951B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 185 ° · (slow heating) 185° (dec); mp (fast heating) 212°
- FDA UNII
- 82071 PQS · JC82071PQS
- Toxicity
- 50 in · LD50 in mice: >600 mg/kg i.p., >2 g/kg orally (Fourneau, Delourme)
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 in mice: >600 mg/kg i.p., >2 g/kg orally (Fourneau, Delourme)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Additional notes
DefinitionChEBI: Bufeniode is an alkylbenzene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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