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Home> Encyclopedia > Hot Product Listed 5   > 5-Quinolinemethanol,8-hydroxy-a-[[(1-methylethyl)amino]methyl]-
39354-45-5 structure

5-Quinolinemethanol,8-hydroxy-a-[[(1-methylethyl)amino]methyl]-

Iupac Name:disodium;4-(2-dodecoxyethoxy)-4-oxo-2-sulfonatobutanoate
CAS No.:39354-45-5
Molecular Weight:454.48600
Molecular Formula:C19H25N6O8P (isomer)
Names and Identifiers
Synonyms

(?à)-Quinterenol 5-[1-hydroxy-2-(isopropylamino)ethyl]quinolin-8-ol 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol 5-Quinolinemethanol,8-hydroxy-a-[(isopropylamino)methyl]- (8CI) 8-Hydroxy-a-[(isopropylamino)methyl]-5-quinolinemethanol dl-5-(1-Hydroxy-2-isopropylaminoethyl)-8-hydroxyquinoline Quinprenaline Quinterenol

Inchi
InChI=1S/C18H34O8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-14-26-17(19)15-16(18(20)21)27(22,23)24;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2
InChkey
ZZTKVOKJMCZYBC-UHFFFAOYSA-L
Canonical Smiles
CCCCCCCCCCCCOCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Properties
Density
1.286
Boiling Point
594.7°C at 760 mmHg
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:454.48600g/mol
  • Molecular Formula:C19H25N6O8P
  • Compound Is Canonicalized:True
  • Exact Mass:454.161
  • Monoisotopic Mass:454.161
  • Complexity:479
  • Rotatable Bond Count:17
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:141A^2
  • Heavy Atom Count:29
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcfB4PDBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQAAAAACACkwAKCCAAABAII AACQCHBAAAAAAAAAAAEAAAABABIAAAACAAAEAAACAAHDwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:0755-86655561 81899190
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