Basic information
- CAS
61-44-9- Standard SMILES
Cl.O=C(CCN1CCOCC1)c1csc2ccccc12- InChIKey
MHFIDACTVZJUFJ-UHFFFAOYSA-N- Molecular formula
- C15H18ClNO2S
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.0746777
Overview
tested for platelet aggregation inhibition; RN given refers to HCl
Names & identifiers
- Preferred name
- AQ 1994
- IUPAC
- 1-(1-benzothiophen-3-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
Names & synonyms
AQ 199461-44-9AQ-1994DTXSID10209845RefChem:113577DTXCID60132336alpha-Benzothienyl-beta-N-morpholinoethyl ketone1-Propanone, 1-benzo(b)thien-3-yl-3-(4-morpholinyl)-, hydrochloride1-(1-benzothiophen-3-yl)-3-morpholin-4-ylpropan-1-one;hydrochlorideorb1740485AKOS024324373T68995
Show more names
1-(1-benzothien-3-yl)-3-(4-morpholinyl)-1-propanone hydrochloride1-(1-Benzothiophen-3-yl)-3-(morpholin-4-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
61-44-9- PubChem CID
- 65539
- DTXSID
DTXSID10209845- EC Number
- 668-087-3
Properties
Computed structural properties
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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