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3,6-Bis(dimethylamino)-9-mesityl-10-methylacridin-10-ium bromide structure
3,6-Bis(dimethylamino)-9-mesityl-10-methylacridin-10-ium bromide structure

3,6-Bis(dimethylamino)-9-mesityl-10-methylacridin-10-ium bromide

Iupac Name:(2E)-3,7-dimethylocta-2,6-dien-1-ol
CAS No.:106-24-1
Molecular Weight:154.25
1. Names and Identifiers
1.1 Name
3,6-Bis(dimethylamino)-9-mesityl-10-methylacridin-10-ium bromide
1.2 CAS No.
106-24-1
1.3 CID
637566
1.4 Inchi
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
1.5 InChkey
GLZPCOQZEFWAFX-JXMROGBWSA-N
1.6 Canonical Smiles
CC(=CCCC(=CCO)C)C
1.7 Isomers Smiles
CC(=CCC/C(=C/CO)/C)C
2. Properties
3.1 Melting point
-15 °C
3.1 Refractive index
n20/D 1.474(lit.)
3.1 Vapour pressure
~0.2 mm Hg ( 20 °C)
3.1 Precise Quality
154.13600
3.1 PSA
20.23000
3.1 logP
2.67140
3. Safety and Handling
4.1 Symbol
GHS05;GHS07;
4.1 Signal Word
DANGER
4.1 Risk Statements
36/37/38-43-41-36-52/53-38
4.1 Safety Statements
26-36-24/25-36/37-61-36/37/39
4.1 Hazard Declaration
H315; H317; H318
4.1 RIDADR
UN1230 - class 3 - PG 2 - Methanol, solution
4.1 Caution Statement
P280-P305 + P351 + P338
4.1 WGK Germany
1
4.1 RTECS
RG5830000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:154.25g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.9
  • Exact Mass:154.135765193
  • Monoisotopic Mass:154.135765193
  • Complexity:150
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
  • Geraniol (a primary alcohol based on two isoprene units) was shown to enhance the activities of anti-bacterial agents in Lorenzi et al. (2009) . This group also sought to patent the use of the compound as an adjuvant in “Geraniol as a bacterial efflux pump inhibitor” [ EP2184061A1 ]. Nevertheless...
  • Geraniol is a dietary monoterpene alcohol that is found in the essential oils of aromatic plants. To date, experimental evidence supports the therapeutic or preventive effects of geraniol on different types of cancer, such as breast, lung, colon, prostate, pancreatic, and hepatic cancer, and has re...
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