3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone
Basic information
- CAS
346445-29-2- Standard SMILES
CC(C)c1ccc(NCCC(=O)c2cccs2)cc1- InChIKey
OBARIISCDAUKKL-UHFFFAOYSA-N- Molecular formula
- C16H19NOS
- Average molar mass
- 273.4 g/mol
- Monoisotopic mass
- 273.1187354
Names & identifiers
- Preferred name
- 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone
- IUPAC
- 3-(4-propan-2-ylanilino)-1-thiophen-2-ylpropan-1-one
- English name
- 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone
- Molecular formula
- C16H19NOS
- Molecular weight
- 273.39
Names & synonyms
346445-29-23-(4-isopropylanilino)-1-(2-thienyl)-1-propanoneRefChem:493177650-946-93-((4-Isopropylphenyl)amino)-1-(thiophen-2-yl)propan-1-one3-(4-propan-2-ylanilino)-1-thiophen-2-ylpropan-1-oneCambridge id 6911707Oprea1_504758MLS000677011CHEMBL1383500HMS2563A19AKOS003603060
Show more names
SALOR-INT L250694-1EA
JS-2550SMR0002708353-[(4-isopropylphenyl)amino]-1-(2-thienyl)-1-propanone3-{[4-(propan-2-yl)phenyl]amino}-1-(thiophen-2-yl)propan-1-one
Database identifiers
- CAS
346445-29-2- PubChem CID
- 800191
- ChEMBL
CHEMBL1383500- EC Number
- 650-946-9
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H301-H413-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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)
- GHS06
- Hazard statements
- H335-H301-H413-H315-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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