Basic information
- CAS
239439-29-3- Standard SMILES
O=C(Cc1ccccc1)NCC1CCCO1- InChIKey
GLRRFYMIFNCWSD-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- N-(oxolan-2-ylmethyl)-2-phenylacetamide
- IUPAC
- N-(oxolan-2-ylmethyl)-2-phenylacetamide
- English name
- N-(oxolan-2-ylmethyl)-2-phenylacetamide
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
N-(oxolan-2-ylmethyl)-2-phenylacetamideAcetamide, N-tetrahydrofurfuryl-2-phenyl-SMR000137281CBMicro_018520Cambridge id 5348186Oprea1_442768MLS000532421CHEMBL1548762GLRRFYMIFNCWSD-UHFFFAOYSA-NHMS2479F07CCG-6927STK004215
Show more names
2-PHENYL-N-(TETRAHYDRO-FURAN-2-YLMETHYL)-ACETAMIDEBenzeneacetamide, N-[(tetrahydro-2-furanyl)methyl]-
AKOS002956357AKOS016195685ST010546BIM-0018557.P0012-phenyl-N-(tetrahydro-2-furanylmethyl)acetamide2-phenyl-N-(tetrahydrofuran-2-ylmethyl)acetamideAB00081996-01SR-01000206149
Database identifiers
- CAS
239439-29-3- PubChem CID
- 531986
- ChEMBL
CHEMBL1548762- EC Number
- 167-487-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 429.7 · 429.7±28.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- pka
- 15.74 · 15.74±0.46(Predicted)
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]
P264, P270, P301+P316, P321, P330, 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. 3 (100%)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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