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Chlorhexidine Digluconate EP Impurity G

CAT: 1596-AR-C05230-01Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C05230-01Size:250 Units
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CAS Number
152504-09-1
Synonyms
1- (6-Aminohexyl) -5- (4-chlorophenyl) biguanide
Molecular Formula
C14H23ClN6
Molecular Weight
310.8
API Name
Chlorhexidine

Chemical Information

Imidodicarbonimidic diamide, N-(6-aminohexyl)-N'-(4-chlorophenyl)-
CAS Number152504-09-1
PubChem CID15224707
IUPAC Name(1E)-1-[amino-(4-chloroanilino)methylidene]-2-(6-aminohexyl)guanidine
Molecular FormulaC14H23ClN6
Molecular Weight310.82
XLogP-1.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity336
SMILES
C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN)N)/N)Cl
InChI
InChI=1S/C14H23ClN6/c15-11-5-7-12(8-6-11)20-14(18)21-13(17)19-10-4-2-1-3-9-16/h5-8H,1-4,9-10,16H2,(H5,17,18,19,20,21)
InChIKey
NOIUSXTZNNFUKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imidodicarbonimidic diamide, N-(6-aminohexyl)-N'-(4-chlorophenyl)-
CAS: 152504-09-1
CID: 15224707
Formula: C14H23ClN6
MW: 310.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.82
XLogP3-1.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass310.1672725
Monoisotopic Mass310.1672725
Topological Polar Surface Area115 Ų
Heavy Atom Count21
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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