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Cetrimide

CAT: 0931-T19754-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T19754-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
505-86-2
Target
Others
Related Pathways
Others
Bioactivity
Cetrimide is an antiseptic. It is used to irrigate root canals to ensure the disinfection and removal of microbial residues.
Smiles
[OH-].CCCCCCCCCCCCCCCC[N+](C)(C)C
Molecular Formula
C19H43NO
Molecular Weight
301.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cetrimonium Hydroxide
CAS Number505-86-2
PubChem CID68166
IUPAC Namehexadecyl(trimethyl)azanium hydroxide
Molecular FormulaC19H43NO
Molecular Weight301.6
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Heavy Atom Count21
Formal Charge0
Complexity181
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[OH-]
InChI
InChI=1S/C19H42N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H2/q+1;/p-1
InChIKey
WJLUBOLDZCQZEV-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Cetrimonium Hydroxide
CAS: 505-86-2
CID: 68166
Formula: C19H43NO
MW: 301.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass301.334464995
Monoisotopic Mass301.334464995
Topological Polar Surface Area1 Ų
Heavy Atom Count21
Formal Charge0
Complexity181
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

Alternative Products

CatalogName
3121465Cetrimide
341393Cetrimide bromide
RDM-CTRB-01Cetrimide Broth
LA6010Cetrimide Agar
571228Cetrimide hydroxide

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