Amitraz Impurity 2

CAT: 1299-RM-A265002-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A265002-02Size:25 mg

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CAS Number

16596-04-6

Synonyms

N, N'-bis (2,4-dimethylphenyl) formimidamide

Molecular Formula

C17H20N2

Molecular Weight

252.36

Target Alternative Name

Amitraz

Product Name Synonym

N, N'-bis (2,4-dimethylphenyl) formimidamide

Chemical Information

Methanimidamide, N,N'-bis(2,4-dimethylphenyl)-

CAS Number	16596-04-6
PubChem CID	578703
IUPAC Name	N,N'-bis(2,4-dimethylphenyl)methanimidamide
Molecular Formula	C17H20N2
Molecular Weight	252.35
XLogP	4.4
Topological Polar Surface Area	24.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	300

SMILES

CC1=CC(=C(C=C1)NC=NC2=C(C=C(C=C2)C)C)C

InChI

InChI=1S/C17H20N2/c1-12-5-7-16(14(3)9-12)18-11-19-17-8-6-13(2)10-15(17)4/h5-11H,1-4H3,(H,18,19)

InChIKey

BWNKORZLHTWKHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16596-04-6

CID: 578703

Formula: C17H20N2

MW: 252.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.35
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	252.162648646
Monoisotopic Mass	252.162648646
Topological Polar Surface Area	24.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	300
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

Catalog	Name
RM-A265001-01	Amitraz Impurity 1
RG-A260694-01	Amitraz
RM-A265003-01	Amitraz Impurity 3 (Mixture Of Z And E Isomers)
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