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N-Ethyl-m-toluamide

CAT: 0572-TRC-E923100-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E923100-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26819-07-8
Synonyms
N-Ethyl-3-methylbenzamide
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
O=C(NCC)C1=CC=CC(C)=C1
Molecular Formula
C10H13NO
Molecular Weight
163.22
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Ethyl-3-toluamide

a DEET metabolite; structure in first source

CAS Number26819-07-8
PubChem CID93103
IUPAC NameN-ethyl-3-methylbenzamide
Molecular FormulaC10H13NO
Molecular Weight163.22
XLogP2.5
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity156
SMILES
CCNC(=O)C1=CC=CC(=C1)C
InChI
InChI=1S/C10H13NO/c1-3-11-10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey
FPINATACRXASTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Ethyl-3-toluamide
CAS: 26819-07-8
CID: 93103
Formula: C10H13NO
MW: 163.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.22
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass163.099714038
Monoisotopic Mass163.099714038
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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