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trans-Crotamiton

CAT: 0572-TRC-C818000-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C818000-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124236-29-9
Synonyms
trans-Crotalgin; trans-Crotamitex; N-Ethyl-o-crotonotoluidide; trans-Crotamitone; Crotonyl N-ethyl-o-toluidine; trans-N-Crotonyl-N-ethyl-o-toluidine; (2E)-N-Ethyl-N-(2-methylphenyl)-2-butenamide;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CCN(C(=O)\C=C\C)c1ccccc1C
Molecular Formula
C13 H17 N O
Molecular Weight
203.28
InChI
InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+
Additionnal Information
IUPAC name: (E)-N-ethyl-N-(o-tolyl)but-2-enamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Ethyl-o-crotonotoluidide

Crotamiton is an enamide resulting from the formal condensation of crotonic acid with N-ethyl-2-methylaniline. A colourless or pale yellow oily liquid, it is used in the treatment of pruritus (itching) by producing a counter-irritation: as it evaporates from the skin, it produces a cooling effect that diverts attention away from the itching. It has also been used as an acaricide in the treatment of scabies, though more effective drugs are usually preferred. It has a role as an antipruritic drug and a scabicide. It is a tertiary carboxamide and an enamide.

CAS Number124236-29-9
PubChem CID688020
IUPAC Name(E)-N-ethyl-N-(2-methylphenyl)but-2-enamide
Molecular FormulaC13H17NO
Molecular Weight203.28
XLogP2.8
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity235
SMILES
CCN(C1=CC=CC=C1C)C(=O)/C=C/C
InChI
InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+
InChIKey
DNTGGZPQPQTDQF-XBXARRHUSA-N
Chemical Structure
2D Structure
2D structure of N-Ethyl-o-crotonotoluidide
CAS: 124236-29-9
CID: 688020
Formula: C13H17NO
MW: 203.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.28
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass203.131014166
Monoisotopic Mass203.131014166
Topological Polar Surface Area20.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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