N-Ethyl-3-toluamide
Basic information
- CAS
26819-07-8- Standard SMILES
CCNC(=O)c1cccc(C)c1- InChIKey
FPINATACRXASTP-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Overview
a DEET metabolite; structure in first source
Names & identifiers
- Preferred name
- N-Ethyl-3-toluamide
- IUPAC
- N-ethyl-3-methylbenzamide
- English name
- Benzamide, N-ethyl-3-methyl- (9CI)
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
N-ethyl-m-toluamideN-ethyl-3-toluamideRefChem:829887N-ethyl-3-methylbenzamide26819-07-8Benzamide, N-ethyl-3-methyl-Benzamide, N-ethyl-3-methyl- (9CI)RS5ZM0NO6QAI3-32945MFCD00496601UNII-RS5ZM0NO6QN-ethyl-3-methyl-benzamide
Show more names
3-Methyl-N-ethylbenzamideN-Ethyl-3-methylbenzamide,97%
Benzamide, 3-methyl-N-ethyl-M-TOLUAMIDE, N-ETHYL-SCHEMBL1197188SCHEMBL1360195SCHEMBL10727571SCHEMBL25308945DTXSID50181313FPINATACRXASTP-UHFFFAOYSA-N
Database identifiers
- CAS
26819-07-8- PubChem CID
- 93103
- DTXSID
DTXSID50181313- UNII
- RS5ZM0NO6Q
- EC Number
- 860-900-1
- Nikkaji
- J29.486A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
LogP1.32
Physicochemical properties
- Boiling point
- 292.3 · 292.3±19.0 °C(Predicted)
- Density
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 15.5 · 15.50±0.46(Predicted)
- form
- Liquid
- color
- Yellow
- FDA UNII
- 5 ZM0NO6Q · RS5ZM0NO6Q
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN-ethyl-m-toluamide is a known human metabolite of DEET.
Applications
UsesN-Ethyl-m-toluamide is an impurity of DEET (D228500), which is an insect repellent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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