Basic information
- CAS
94-39-3- Standard SMILES
O=C(CCN1CCCC1)c1ccccc1- InChIKey
WRSWNYCNECGVNL-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Overview
See also: 1-Phenyl-3-(pyrrolidin-yl)propan-1-one (annotation moved to).
Names & identifiers
- Preferred name
- 1-Phenyl-3-(1-pyrrolidinyl)-1-propanone
- IUPAC
- 1-phenyl-3-pyrrolidin-1-ylpropan-1-one
- English name
- 1-PHENYL-3-(PYRROLIDIN-1-YL)PROPAN-1-ONE
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
1-Phenyl-3-(1-pyrrolidinyl)-1-propanoneRefChem:4355881-phenyl-3-(pyrrolidin-1-yl)propan-1-one94-39-31-phenyl-3-pyrrolidin-1-ylpropan-1-one3-(1-pyrrolidinyl)propiophenone1-Phenyl-3-pyrrolidin-1-yl-propan-1-one1-Propanone,1-phenyl-3-(1-pyrrolidinyl)-SCHEMBL6401128SCHEMBL10507206DTXSID00275711AKOS011905112
Show more names
1-Phenyl-3-(pyrrolidin-yl)propan-1-one
AS-0294CS-0001982NS00008131
Database identifiers
- CAS
94-39-3- PubChem CID
- 70034
- DTXSID
DTXSID00275711- Nikkaji
- J304.876D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
LogP1.91
Physicochemical properties
- Melting point
- 156 °C · 156 °C
- Boiling point
- 329 ℃ · 329℃
- Density
- 1.051 · 1.051
- Flash point
- 122 ℃ · 122℃
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DCM, Methanol (Slightly)
- form
- Oil
- pka
- 9.73 · 9.73±0.20(Predicted)
- color
- Clear Colourless to Pale Yellow
- CAS DataBase Reference
- 94 · 94-39-3
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H317-H302-H314
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-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.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H317-H302-H314
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses3-(1-Pyrrolidinyl)propiophenone is an intermediate in the synthesis of A labelled anticholinergic drug used in the treatment parkinson’s disease. It is also used to treat patients suffering from drug-induced parkinsonism, akathisia and acute dystonia.
Suppliers9 total
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海康源隆医药科技发展有限公司86727548 13764759612 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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