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Home> Hot Product Listed P   > PROPIONYL-L-CARNITINE HYDROCHLORIDE
35853-45-3 structure

PROPIONYL-L-CARNITINE HYDROCHLORIDE

Iupac Name:4-bromo-2,8-bis(trifluoromethyl)quinoline
CAS No.:35853-45-3
EINECS(EC#): 608-375-8
Molecular Weight:344.054
Molecular Formula:C23H24N4O6 (isomer)
Names and Identifiers
Synonyms

(2R)-3-Carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-1-propanaminium Inner Salt (R)-Propionyl Carnitine L-Carnitine Propionyl Ester Levocarnitine Propil L-Propionylcarnitine PROPIONYL L-CARNITINE HCL PROPIONYL-L-CARNITINE CHLORIDE PROPIONYL-LEVO-CARNITINE HYDROCHLORIDE

Inchi
InChI=1S/C11H4BrF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H
InChkey
DXALAFAFIXJDOS-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2Br)C(F)(F)F
Properties
Density
1.63
Melting Point
62-64℃
Boiling Point
336.3°C at 760 mmHg
Refractive Index
1.51
Solubility
In water, 1X10+6 mg/L at 25 deg C (est)
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Exposure Standards and Regulations
Since 1994, dietary supplements have been regulated under the Dietary Supplement Health and Education Act (DSHEA). The DSHEA requires no proof of safety for dietary supplements on the market prior to October 15, 1994. Labeling requirements for such supplements allow warnings and dosage recommendations as well as substantiated "structure or function" claims. All claims must prominently note that they have not been evaluated by the FDA, and they must bear the statement "This product is not intended to diagnose, treat, cure, or prevent any disease".
Octanol/Water Partition Coefficient
log Kow = -4.13 (est)
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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.

P271 Use only outdoors or in a well-ventilated area.

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.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:344.054g/mol
  • Molecular Formula:C23H24N4O6
  • Compound Is Canonicalized:True
  • Exact Mass:342.943
  • Monoisotopic Mass:342.943
  • Complexity:328
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:12.9A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYByAcAAEAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHQBAAAABrAiBHhAwwPIIEACg AyRiRACCgCAhAiQImCAwZLgIIOLAkZGEIAhggADIyhcQgMAOAAACAAACAAAAAAQAAAQAAAAAAAAA AA==
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