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Ambroxol EP Impurity C

CAT: 1596-AR-A01845-02Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01845-02Size:50 Units
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CAS Number
50910-53-7
Synonyms
Trans-4-[[ (2-Amino-3,5-dibromophenyl) methylene]amino]cyclohexanol
Molecular Formula
C13H16Br2N2O
Molecular Weight
376.09
API Name
Ambroxol

Chemical Information

trans-4-((2-Amino-3,5-dibromobenzylidene)amino)cyclohexanol
CAS Number50910-53-7
PubChem CID70487064
IUPAC Name4-[(2-amino-3,5-dibromophenyl)methylideneamino]cyclohexan-1-ol
Molecular FormulaC13H16Br2N2O
Molecular Weight376.09
XLogP2.8
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity293
SMILES
C1CC(CCC1N=CC2=C(C(=CC(=C2)Br)Br)N)O
InChI
InChI=1S/C13H16Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-7,10-11,18H,1-4,16H2
InChIKey
PACIGGABLPTEDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of trans-4-((2-Amino-3,5-dibromobenzylidene)amino)cyclohexanol
CAS: 50910-53-7
CID: 70487064
Formula: C13H16Br2N2O
MW: 376.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.09
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass375.96089
Monoisotopic Mass373.96294
Topological Polar Surface Area58.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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