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Home> Encyclopedia > Hot Product Listed 6   > 6-Azaspiro[2.5]octane-5,7-dione
70679-99-1 structure

6-Azaspiro[2.5]octane-5,7-dione

Iupac Name:2-amino-N'-(2-hydroxyethyl)butanediamide;2-amino-N-(2-hydroxyethyl)butanediamide
CAS No.:70679-99-1
Molecular Weight:350.376
Molecular Formula:C13H21NO4S (isomer)
Names and Identifiers
Synonyms

1,1-Cyclopropanediacetimide(7CI,8CI) 6-aza-spiro[2.5]octane-5,7-dione AK203992 AKOS027253855 CTK0H7642 DTXSID10701551 SCHEMBL19585725

Inchi
InChI=1S/2C6H13N3O3/c7-4(6(8)12)3-5(11)9-1-2-10;7-4(3-5(8)11)6(12)9-1-2-10/h4,10H,1-3,7H2,(H2,8,12)(H,9,11);4,10H,1-3,7H2,(H2,8,11)(H,9,12)
InChkey
XDVVFHDFLPLUJA-UHFFFAOYSA-N
Canonical Smiles
C(CO)NC(=O)CC(C(=O)N)N.C(CO)NC(=O)C(CC(=O)N)N
Properties
Density
1.322
Boiling Point
422.5°Cat760mmHg
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:350.376g/mol
  • Molecular Formula:C13H21NO4S
  • Compound Is Canonicalized:True
  • Exact Mass:350.191
  • Monoisotopic Mass:350.191
  • Complexity:343
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:8
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:237A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceBzuAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjhgAYAAALAAgAI AAEQEAAAAAAAAAAAAIGIAAACUBgAwAAUAAAAFgCQAAAFAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:+1-(858)-552 0992
  • Fax:+1-(858)-552 0999
  • Tel:310 516 8000
  • Fax:1-800-525-2299
  • Tel:86-311-80955068
  • Fax:86-0311-80955068
  • Tel:+86-514-8775 4778 ,8775 4779
  • Fax:+86-514-8775 2291
 
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