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Home> Hot Product Listed 1   > 1,2-dibenzylpiperidine-2,6-dicarbonitrile
26929-65-7 structure

1,2-dibenzylpiperidine-2,6-dicarbonitrile

CAS No.:26929-65-7
Molecular Weight:269.21414
Molecular Formula:C12H14O2 (isomer)
Names and Identifiers
Synonyms

2,6-Piperidinedicarbonitrile, 1,2-bis(phenylmethyl)- AC1L44DW

Inchi
InChI=1/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)
Canonical Smiles
C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N=[N+]=[N-]
Properties
Density
1.015
Melting Point
149-153 ºC
Boiling Point
323.2°C at 760 mmHg
Flash Point
199.9°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S22;S24/25
Reach Info
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:269.21414g/mol
  • Molecular Formula:C12H14O2
  • Exact Mass:269.076018
  • Monoisotopic Mass:269.076018
  • Complexity:474
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:114
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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