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Clenhexerol

CAT: 0926-DDA98288-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-DDA98288-02Size:10 mg
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CAS Number
78982-88-4
MDL Number
MFCD16652573
Smiles
C1=C (C=C (NC1=O) Cl) C (F) F
Molecular Formula
C14H22Cl2N2O
Molecular Weight
305.2 g/mol
Controlled
No

Chemical Information

1-(4-Amino-3,5-dichlorophenyl)-2-(hexylamino)ethan-1-ol
CAS Number78982-88-4
PubChem CID53639498
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-(hexylamino)ethanol
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.2
XLogP3.5
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity231
SMILES
CCCCCCNCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C14H22Cl2N2O/c1-2-3-4-5-6-18-9-13(19)10-7-11(15)14(17)12(16)8-10/h7-8,13,18-19H,2-6,9,17H2,1H3
InChIKey
OIJJTCCRNKYZHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Amino-3,5-dichlorophenyl)-2-(hexylamino)ethan-1-ol
CAS: 78982-88-4
CID: 53639498
Formula: C14H22Cl2N2O
MW: 305.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.2
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass304.1109187
Monoisotopic Mass304.1109187
Topological Polar Surface Area58.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-136517-01Clenhexerol
268618-01Clenhexerol hydrochloride
TRC-C572605-25MGClenhexerol Methyl Ether

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