Benzethonium hydroxide

CAS
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Purity
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CAS
498-77-1
Size
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Purity
96%
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Catalog Number

ACM498771

Product Name

Benzethonium hydroxide

Structure

CAS

498-77-1

Category

Heterocyclic Organic Compound

Synonyms

Sanizol

IUPAC Name

benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium

Molecular Weight

429.64

Molecular Formula

C27H43NO3

InChI

InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1

InChI Key

SIYLLGKDQZGJHK-UHFFFAOYSA-N

Flash Point

11ºC

Complexity

466

EC Number

684-540-8

Exact Mass

412.321554582

Formal Charge

Hazard Statements

F,T

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2

Monoisotopic Mass

412.321554582

Rotatable Bond Count

Safety Description

7-16-26-36/37/39-45

Storage Conditions

2-8°C

Topological Polar Surface Area

18.5 Å²

XLogP3-AA

6.7

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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