1-(1,3-Benzodioxol-5-YL)-3-(3,4-dimethylanilino)-1-propanone
Basic information
- CAS
477319-12-3- Standard SMILES
Cc1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1C- InChIKey
GMZIHYHDVHHOJG-UHFFFAOYSA-N- Molecular formula
- C18H19NO3
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.13649347
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-YL)-3-(3,4-dimethylanilino)-1-propanone
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylanilino)propan-1-one
- English name
- 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethylanilino)-1-propanone
- Molecular formula
- C18H19NO3
- Molecular weight
- 297.35
Names & synonyms
477319-12-31-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylanilino)-1-propanoneRefChem:419312646-795-31-(Benzo[d][1,3]dioxol-5-yl)-3-((3,4-dimethylphenyl)amino)propan-1-one1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylanilino)propan-1-oneMFCD03934013AKOS005108595JS-2399ST069853CS-03636681-(2H-1,3-benzodioxol-5-yl)-3-[(3,4-dimethylphenyl)amino]propan-1-one
Show more names
SALOR-INT L232343-1EA
1-(2H-benzo[d]1,3-dioxolen-5-yl)-3-[(3,4-dimethylphenyl)amino]propan-1-one
Database identifiers
- CAS
477319-12-3- PubChem CID
- 4466802
- EC Number
- 646-795-3
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H410
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H301-H410
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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