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Alexidine Dihydrochloride

CAT: 1596-AR-A04624-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A04624-01Size:10 Units
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CAS Number
1715-30-6
Synonyms
1,6-Bis (2-ethylhexylbiguanido) hexane dihydrochloride
Molecular Formula
C26H56N10.2ClH
Molecular Weight
581.71
API Name
Alexidine

Chemical Information

Alexidine dihydrochloride
CAS Number1715-30-6
PubChem CID102678
IUPAC Name1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;dihydrochloride
Molecular FormulaC26H58Cl2N10
Molecular Weight581.7
Topological Polar Surface Area178
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count4
Rotatable Bond Count23
Heavy Atom Count38
Formal Charge0
Complexity601
SMILES
CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.Cl.Cl
InChI
InChI=1S/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H
InChIKey
BRJJFBHTDVWTCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alexidine dihydrochloride
CAS: 1715-30-6
CID: 102678
Formula: C26H58Cl2N10
MW: 581.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count4
Rotatable Bond Count23
Exact Mass580.4222973
Monoisotopic Mass580.4222973
Topological Polar Surface Area178 Ų
Heavy Atom Count38
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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HY-108547-01Alexidine (dihydrochloride)
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