Crotamiton Impurity 31

CAT: 1299-RM-C181731-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C181731-01Size:10 mg

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CAS Number

13936-60-2

Synonyms

N-ethyl-N- (o-tolyl) formamide

Molecular Formula

C10H13NO

Molecular Weight

163.22

Target Alternative Name

Crotamiton

Product Name Synonym

N-ethyl-N- (o-tolyl) formamide

Chemical Information

N-ethyl-N-(o-tolyl)formamide

CAS Number	13936-60-2
PubChem CID	15739198
IUPAC Name	N-ethyl-N-(2-methylphenyl)formamide
Molecular Formula	C10H13NO
Molecular Weight	163.22
XLogP	2
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	147

SMILES

CCN(C=O)C1=CC=CC=C1C

InChI

InChI=1S/C10H13NO/c1-3-11(8-12)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3

InChIKey

SHJRJBMVHJTGJM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13936-60-2

CID: 15739198

Formula: C10H13NO

MW: 163.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.22
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	163.099714038
Monoisotopic Mass	163.099714038
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes