Clenbuterol Impurity 18

CAT: 1299-RM-C551818-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C551818-01Size:10 mg

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CAS Number

82164-81-6

Synonyms

4- (2- (tert-butylamino) -1-isopropoxyethyl) -2,6-dichloroaniline

Molecular Formula

C15H24Cl2N2O

Molecular Weight

319.27

Target Alternative Name

Clenbuterol

Product Name Synonym

4- (2- (tert-butylamino) -1-isopropoxyethyl) -2,6-dichloroaniline

Chemical Information

4-(2-(Tert-butylamino)-1-isopropoxyethyl)-2,6-dichloroaniline

CAS Number	82164-81-6
PubChem CID	13232282
IUPAC Name	4-[2-(tert-butylamino)-1-propan-2-yloxyethyl]-2,6-dichloroaniline
Molecular Formula	C15H24Cl2N2O
Molecular Weight	319.3
XLogP	3.5
Topological Polar Surface Area	47.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	282

SMILES

CC(C)OC(CNC(C)(C)C)C1=CC(=C(C(=C1)Cl)N)Cl

InChI

InChI=1S/C15H24Cl2N2O/c1-9(2)20-13(8-19-15(3,4)5)10-6-11(16)14(18)12(17)7-10/h6-7,9,13,19H,8,18H2,1-5H3

InChIKey

DPJUCWVCZQPMIK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82164-81-6

CID: 13232282

Formula: C15H24Cl2N2O

MW: 319.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.3
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	318.1265688
Monoisotopic Mass	318.1265688
Topological Polar Surface Area	47.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	282
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes