3-(4-Iodoanilino)-1-(4-methoxyphenyl)-1-propanone
Basic information
- CAS
477320-56-2- Standard SMILES
COc1ccc(C(=O)CCNc2ccc(I)cc2)cc1- InChIKey
RHEBMVZRIRHGFK-UHFFFAOYSA-N- Molecular formula
- C16H16INO2
- Average molar mass
- 381.21 g/mol
- Monoisotopic mass
- 381.02258
Names & identifiers
- Preferred name
- 3-(4-Iodoanilino)-1-(4-methoxyphenyl)-1-propanone
- IUPAC
- 3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one
- English name
- 3-(4-Iodoanilino)-1-(4-methoxyphenyl)-1-propanone
- Molecular formula
- C16H16INO2
- Molecular weight
- 381.21
Names & synonyms
477320-56-23-(4-iodoanilino)-1-(4-methoxyphenyl)-1-propanoneRefChem:493157646-682-93-((4-Iodophenyl)amino)-1-(4-methoxyphenyl)propan-1-one3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one3-[(4-iodophenyl)amino]-1-(4-methoxyphenyl)propan-1-oneAKOS005108377JS-2456AG-205/32377011SALOR-INT L233250-1EA
Database identifiers
- CAS
477320-56-2- PubChem CID
- 4558744
- EC Number
- 646-682-9
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- 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-H410
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Suppliers
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Related reactions
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Compound notes
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