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Home> Hot Product Listed F   > F1838-4211
4497-04-5 structure

F1838-4211

Iupac Name:3-morpholin-4-ylpropanoic acid
CAS No.:4497-04-5
Molecular Weight:159.185
Molecular Formula:C23H23N3O5S (isomer)
Names and Identifiers
Synonyms

AKOS024613591 MCULE-9671283356 MOLPORT-009-686-788 n-(5-((2-((2-ethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide ZINC43939657

Inchi
InChI=1S/C7H13NO3/c9-7(10)1-2-8-3-5-11-6-4-8/h1-6H2,(H,9,10)
InChkey
YUYHRSGXZZVNMS-UHFFFAOYSA-N
Canonical Smiles
C1COCCN1CCC(=O)O
Properties
Refractive Index
1.482
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 4497-04-5 EC: F1838-4211 ·ECHA C&L Inventory for CAS: CAS: 4497-04-5 EC: F1838-4211
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H318 Causes serious eye damage

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.

P310 Immediately call a POISON CENTER/doctor/…

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

P312 Call a POISON CENTER/doctor/…if 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:159.185g/mol
  • Molecular Formula:C23H23N3O5S
  • Compound Is Canonicalized:True
  • Exact Mass:159.09
  • Monoisotopic Mass:159.09
  • Complexity:132
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:49.8A^2
  • Heavy Atom Count:11
  • 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: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAACAAACADhgAYACAMABgAI AACQCAAAAAAAAAAAAAEIAAACAAgAAAAHQAACAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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