1-(1-Benzylpyrrolidin-3-yl)ethan-1-one
Basic information
- CAS
87088-73-1- Standard SMILES
CC(=O)C1CCN(Cc2ccccc2)C1- InChIKey
JKIQGQRVJAOUFQ-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 1-(1-Benzylpyrrolidin-3-yl)ethan-1-one
- IUPAC
- 1-(1-benzylpyrrolidin-3-yl)ethanone
- English name
- 1-(1-Benzyl-pyrrolidin-3-yl)-ethanon
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
1-(1-benzylpyrrolidin-3-yl)ethan-1-oneRefChem:419661868-932-887088-73-11-(1-benzylpyrrolidin-3-yl)ethanone1-(1-BENZYL-PYRROLIDIN-3-YL)-ETHANONE3-acetyl-1-benzylpyrrolidineMFCD11845477NSC6176251-(1-Benzyl-pyrrolidin-3-yl)-ethanon1-(1-Benzyl-3-pyrrolidinyl)ethanone1-[1-(PHENYLMETHYL)-3-PYRROLIDINYL]ETHANONE
Show more names
1-(1-Benzyl-3-pyrrolidinyl)-1-ethanoneEthanone, 1-[1-(phenylmethyl)-3-pyrrolidinyl]-
SCHEMBL5567542DTXSID50326828JKIQGQRVJAOUFQ-UHFFFAOYSA-NMDA08873AKOS016353109AB64584NSC-617625NS-02121
Database identifiers
- CAS
87088-73-1- PubChem CID
- 357952
- DTXSID
DTXSID50326828- EC Number
- 868-932-8
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 98 · 98-99 °C(Press: 0.15 Torr)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.43 · 8.43±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
2 records
Compound notes
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