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Home> Hot Product Listed T   > T6680465
13949-67-2 structure

T6680465

Iupac Name:2-naphthalen-1-yloxypropanoic acid
CAS No.:13949-67-2
Molecular Weight:216.23258
Molecular Formula:C17H21NO3 (isomer)
Names and Identifiers
Synonyms

3-acetamido-n-[(furan-2-yl)methyl]-n-(4-methylphenyl)-3-(thiophen-2-yl)propanamide MCULE-4646094858 MOLPORT-009-154-550 Z225414436

Inchi
InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)
InChkey
KTAVXDDWEGVLRN-UHFFFAOYSA-N
Canonical Smiles
CC(C(=O)O)OC1=CC=CC2=CC=CC=C21
Properties
Vapour
9.05E-07mmHg at 25°C
Refractive Index
1.618
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 13949-67-2 EC: T6680465 ·ECHA C&L Inventory for CAS: CAS: 13949-67-2 EC: T6680465
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

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.

Storage

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:216.23258g/mol
  • Molecular Formula:C17H21NO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.7
  • Exact Mass:216.079
  • Monoisotopic Mass:216.079
  • Complexity:252
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADBSgmAIyDsAABgCI AiDSCAICCAAgIAAIiAFGCIgNJiKEMR6CeCCkwBELqAeAwLAOgAABAAAYAAAAAAIAADAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-571-86722205
  • Fax:0086-571-86722205
  • Tel:86-311-80800737
  • Fax:86-0311-89830448
  • Tel:0086-21-50563169
  • Fax:
  • Tel:0086-574-87670845
  • Fax:
  • Tel:+86-(551)-3653857
  • Fax:+86-(551)-3632153
 
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