Basic information
- CAS
85414-48-8- Standard SMILES
CCCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1- InChIKey
SNYMBSCABNKCAA-UHFFFAOYSA-N- Molecular formula
- C22H29NO3
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.21474379
Overview
structure given in first source
Names & identifiers
- Preferred name
- Butafenone
- IUPAC
- 1-[2-[3-(butylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
- English name
- 1-Propanone, 1-(2-(3-(butylamino)-2-hydroxypropoxy)phenyl)-3-phenyl-
- Molecular formula
- C22H29NO3
- Molecular weight
- 355.47
Names & synonyms
ButafenoneButafenon1-Propanone, 1-(2-(3-(butylamino)-2-hydroxypropoxy)phenyl)-3-phenyl-85414-48-891774-24-2DTXSID50276354RefChem:121968DTXCID502276641-{2-[3-(BUTYLAMINO)-2-HYDROXYPROPOXY]PHENYL}-3-PHENYLPROPAN-1-ONESCHEMBL29419081DTXSID001005926
Database identifiers
- CAS
85414-48-8、91774-24-2- PubChem CID
- 134992
- DTXSID
DTXSID001005926
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 382
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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