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Home> Hot Product Listed T   > T6761852
3309-13-5 structure

T6761852

Iupac Name:1-naphthalen-1-ylethanamine
CAS No.:3309-13-5
Molecular Weight:171.243
Molecular Formula:C15H22N2O4S (isomer)
Names and Identifiers
Synonyms

MCULE-3236859792 MOLPORT-009-173-236 n-{3-[(furan-2-yl)methoxy]propyl}-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide Z297873346 ZINC58168359

Inchi
InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3
InChkey
RTCUCQWIICFPOD-UHFFFAOYSA-N
Canonical Smiles
CC(C1=CC=CC2=CC=CC=C21)N
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 3309-13-5 EC: T6761852 ·ECHA C&L Inventory for CAS: CAS: 3309-13-5 EC: T6761852
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin corrosion, Category 1B

Serious eye damage, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H314 Causes severe skin burns and eye damage

H318 Causes serious eye damage

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

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

P273 Avoid release to the environment.

Response

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

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

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/…

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

P391 Collect spillage.

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:171.243g/mol
  • Molecular Formula:C15H22N2O4S
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.8
  • Exact Mass:171.105
  • Monoisotopic Mass:171.105
  • Complexity:167
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Heavy Atom Count:13
  • 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
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