(Z) -Crotamiton

CAT: 1299-RM-C181720-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C181720-01Size:10 mg

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CAS Number

124236-30-2

Synonyms

(Z) -N-ethyl-N- (o-tolyl) but-2-enamide

Molecular Formula

C13H17NO

Molecular Weight

203.29

Target Alternative Name

Crotamiton

Product Name Synonym

(Z) -N-ethyl-N- (o-tolyl) but-2-enamide

Chemical Information

2-Butenamide, N-ethyl-N-(2-methylphenyl)-, (Z)-

CAS Number	124236-30-2
PubChem CID	6604255
IUPAC Name	(Z)-N-ethyl-N-(2-methylphenyl)but-2-enamide
Molecular Formula	C13H17NO
Molecular Weight	203.28
XLogP	2.8
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	235

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-YWEYNIOJSA-N

Chemical Structure

2D Structure

CAS: 124236-30-2

CID: 6604255

Formula: C13H17NO

MW: 203.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.28
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	203.131014166
Monoisotopic Mass	203.131014166
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes