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Hexetidine

CAS No.:
141-94-6
Catalog Number:
AG003QX6
Molecular Formula:
C21H45N3
Molecular Weight:
339.6021
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
98%
1 week
United States
$126
- +
1g
98%
1 week
United States
$140
- +
Product Description
Catalog Number:
AG003QX6
Chemical Name:
Hexetidine
CAS Number:
141-94-6
Molecular Formula:
C21H45N3
Molecular Weight:
339.6021
MDL Number:
MFCD00010428
IUPAC Name:
1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine
InChI:
InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3
InChI Key:
DTOUUUZOYKYHEP-UHFFFAOYSA-N
SMILES:
CCCCC(CN1CN(CC(CCCC)CC)CC(C1)(C)N)CC
EC Number:
205-513-5
UNII:
852A84Y8LS
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.361g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
339.612g/mol
Monoisotopic Mass:
339.361g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Literature
Title Journal
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An in vitro oral biofilm model for comparing the efficacy of antimicrobial mouthrinses. Caries research 20020101
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Properties