Basic information
- CAS
882748-71-2- Standard SMILES
O=C(CCNc1ccc(C2CCCCC2)cc1)c1ccc2c(c1)OCO2- InChIKey
BLQVQMILAVHJIM-UHFFFAOYSA-N- Molecular formula
- C22H25NO3
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.18344366
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)-3-(4-cyclohexylanilino)-1-propanone
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-3-(4-cyclohexylanilino)propan-1-one
- English name
- 1-(1,3-Benzodioxol-5-yl)-3-(4-cyclohexylanilino)-1-propanone
- Molecular formula
- C22H25NO3
- Molecular weight
- 351.44
Names & synonyms
882748-71-21-(1,3-benzodioxol-5-yl)-3-(4-cyclohexylanilino)-1-propanone1-(2H-1,3-benzodioxol-5-yl)-3-[(4-cyclohexylphenyl)amino]propan-1-one1-(1,3-benzodioxol-5-yl)-3-(4-cyclohexylanilino)propan-1-oneMFCD03933242AKOS005108453JS-23481-(Benzo[d][1,3]dioxol-5-yl)-3-((4-cyclohexylphenyl)amino)propan-1-oneSALOR-INT L200816-1EA1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-[(4-cyclohexylphenyl)amino]-
Database identifiers
- CAS
882748-71-2- PubChem CID
- 5111491
- EC Number
- 125-862-6
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 454
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[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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