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Home> Hot Product Listed N   > NITRILOTRIS(METHYLENEPHOSPHONIC ACID), TRISODIUM SALT
98319-26-7 structure

NITRILOTRIS(METHYLENEPHOSPHONIC ACID), TRISODIUM SALT

Iupac Name:(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CAS No.:98319-26-7
Molecular Weight:372.553
Molecular Formula:C10H9N3O (isomer)
Names and Identifiers
Synonyms

Nitrilotris(methylphosphpnicacid),trispdium trisodium trihydrogen [nitrilotris(methylene)]trisphosphonate

Inchi
InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
InChkey
DBEPLOCGEIEOCV-WSBQPABSSA-N
Canonical Smiles
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C
Properties
Density
0.909
Melting Point
253 °C
Refractive Index
1.524
Safety and Handling
Risk Statements
R22;R60;R61
Safety Statements
S36/37/39;S45;S53
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:372.553g/mol
  • Molecular Formula:C10H9N3O
  • Compound Is Canonicalized:True
  • XLogP3-AA:3
  • Exact Mass:372.278
  • Monoisotopic Mass:372.278
  • Complexity:678
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:58.2A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:7
  • 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: AAADcfB7MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAHgAQAAAAD6jBgAQCAALAAACI ACFSEACAAAAgAAAICIEIAEgAABIAgAAEAAAAlgCIAYMYiMCPgAAAAAAAAACQAASAACQAAQAACAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
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  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13667132959
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  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-531-88110457
  • Fax:86-531-88113608
  • Tel:86-571-18268089214
  • Fax:86-571-18268089214
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-592-5360779
  • Fax:86-592-5360779
  • Tel:86-371-86658258
  • Fax:86-371-86658258
 
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