beta-Ethyl-beta-hydroxybenzenepropanamide
Basic information
- CAS
131802-69-2- Standard SMILES
CCC(O)(CC(N)=O)c1ccccc1- InChIKey
MOHYRCCDARWQRM-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Overview
structure given in first source
Names & identifiers
- Preferred name
- beta-Ethyl-beta-hydroxybenzenepropanamide
- IUPAC
- 3-hydroxy-3-phenylpentanamide
- English name
- beta-hydroxy-beta-ethyl-phenylpropionamide
- Molecular weight
- 0
Names & synonyms
3-hydroxy-3-phenylpentanamide131802-69-23-Hydroxy-3-phenylpentamide3-Hpptbeta-Ethyl-beta-hydroxybenzenepropanamideDTXSID50927354RefChem:502378DTXCID401356147890-409-8DL-HEPP5579-03-3beta-Hydroxy-beta-ethyl-phenylpropionamide
Show more names
3-Hydroxy-3-ethyl-3-phenylpropionamideHydrocinnamamide, beta-ethyl-beta-hydroxy-Benzenepropanamide, beta-ethyl-beta-hydroxy-orb1302181SCHEMBL5898588CHEMBL4303634GFA80269EBC-06367
Database identifiers
- CAS
131802-69-2、5579-03-3- PubChem CID
- 64814
- DTXSID
DTXSID50927354- ChEMBL
CHEMBL4303634- EC Number
- 890-409-8
- Nikkaji
- J646.305C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
LogP1.83
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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, P317, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…