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Ambroxol hydrochloride

CAT: 0862-GP8090-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GP8090-25gSize:25 g
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CAS Number
23828-92-4
HS Code
29221900
Purity
98.00%
Molecular Formula
C13H19Br2ClN2O
Molecular Weight
414.56
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

4-(((2-Amino-3,5-dibromophenyl)methyl)amino)cyclohexan-1-ol--hydrogen chloride (1/1)

Ambroxol hydrochloride is an aromatic amine.

CAS Number23828-92-4
PubChem CID108013
IUPAC Name4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol;hydrochloride
Molecular FormulaC13H19Br2ClN2O
Molecular Weight414.56
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity259
SMILES
C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O.Cl
InChI
InChI=1S/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H
InChIKey
QNVKOSLOVOTXKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(((2-Amino-3,5-dibromophenyl)methyl)amino)cyclohexan-1-ol--hydrogen chloride (1/1)
CAS: 23828-92-4
CID: 108013
Formula: C13H19Br2ClN2O
MW: 414.56
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight414.56
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass413.95322
Monoisotopic Mass411.95527
Topological Polar Surface Area58.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes