Basic information
- CAS
477319-04-3- Standard SMILES
COc1ccc(NCCC(=O)c2ccc(C)cc2)c(OC)c1- InChIKey
WUPOXNFIQSYVGU-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Names & identifiers
- Preferred name
- 3-(2,4-Dimethoxyanilino)-1-(4-methylphenyl)-1-propanone
- IUPAC
- 3-(2,4-dimethoxyanilino)-1-(4-methylphenyl)propan-1-one
- English name
- 3-(2,4-Dimethoxyanilino)-1-(4-methylphenyl)-1-propanone
- Molecular formula
- C18H21NO3
- Molecular weight
- 299.36
Names & synonyms
477319-04-33-(2,4-dimethoxyanilino)-1-(4-methylphenyl)-1-propanoneRefChem:490075646-799-53-((2,4-Dimethoxyphenyl)amino)-1-(p-tolyl)propan-1-one3-(2,4-dimethoxyanilino)-1-(4-methylphenyl)propan-1-one3-[(2,4-dimethoxyphenyl)amino]-1-(4-methylphenyl)propan-1-oneAKOS005108511JS-2391SB82496SALOR-INT L232270-1EA
Database identifiers
- CAS
477319-04-3- PubChem CID
- 4606643
- EC Number
- 646-799-5
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H400
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H400
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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