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Home> Hot Product Listed T   > T6509067
15029-37-5 structure

T6509067

Iupac Name:2-cyano-N-cyclopropylacetamide
CAS No.:15029-37-5
Molecular Weight:124.14052
Molecular Formula:C17H31N3O3 (isomer)
Names and Identifiers
Synonyms

2-{1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl}acetamide MCULE-4679307893 MOLPORT-009-326-366 Z438005390 ZINC40122607

Inchi
InChI=1/C6H8N2O/c7-4-3-6(9)8-5-1-2-5/h5H,1-3H2,(H,8,9)
Canonical Smiles
C1CC1NC(=O)CC#N
Properties
Vapour
1.77E-05mmHg at 25°C
Refractive Index
1.491
Safety and Handling
HazardClass
IRRITANT
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:124.14052g/mol
  • Molecular Formula:C17H31N3O3
  • Exact Mass:124.063663
  • Monoisotopic Mass:124.063663
  • Complexity:163
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:52.9
  • Heavy Atom Count:9
  • 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:1
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