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Home> Hot Product Listed S   > STOCK2S-62497
139-33-3 structure

STOCK2S-62497

Iupac Name:disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
CAS No.:139-33-3
Molecular Weight:336.20600
Molecular Formula:C13H20N2O3 (isomer)
Names and Identifiers
Synonyms

AC1N7WED AKOS001644512 AKOS021997252 MCULE-1437892356 MOLPORT-000-781-129 MOLPORT-002-569-824 n-(3-chlorophenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide n-(3-chlorophenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}thio)acetamide n-(3-chlorophenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1h-quinolin-2-yl}sulfanyl)acetamide n-(3-chlorophenyl)-2-[[3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1h-quinolin-2-yl]sulfanyl]acetamide sr-01000484695 SR-01000484695-1 STK839577

Inchi
InChI=1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
InChkey
OVBJJZOQPCKUOR-UHFFFAOYSA-L
Canonical Smiles
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[Na+].[Na+]
Properties
Melting Point
248°C (dec.)(lit.)
Vapour
1.15E-16mmHg at 25°C
Refractive Index
n20/D 1.363
HS Code
2922499990
Safety and Handling
Risk Statements
R22; R36/37/38
Safety Statements
S26-S36-S37/39
PackingGroup
Z01
Transport
无资料?
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Abbott Diagnostics GmbH 2017
Akzo Nobel Functional Chemicals BV 2017
BASF SE 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H332 Harmful if inhaled

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

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

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

Response

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

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

P314 Get medical advice/attention if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:336.20600g/mol
  • Molecular Formula:C13H20N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:372.076
  • Monoisotopic Mass:372.076
  • Complexity:340
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:163A^2
  • Heavy Atom Count:24
  • 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:5
  • CACTVS Substructure Key Fingerprint: AAADceBzPDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAAAADBgAQACAMAAgAI AACQCAAAAAAAAAAAAACIAAACQAAAACAQAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
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  • Tel:86-20-82512746
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