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Home> Hot Product Listed D   > DUNLCHFOAYSPAF-UHFFFAOYSA-N
12011-78-8 structure

DUNLCHFOAYSPAF-UHFFFAOYSA-N

Iupac Name:hydrogen carbonate;nickel(2+);hydroxide
CAS No.:12011-78-8
Molecular Weight:136.716g/mol
Molecular Formula:C17H14N6O2 (isomer)
Names and Identifiers
Synonyms

(2,2-dimethyl-3-[(2-nitrophenyl)amino]propyl)dimethylamine n,n,2,2-tetramethyl-n'-(2-nitrophenyl)propane-1,3-diamine SCHEMBL17145916 SCHEMBL1979867

Inchi
InChI=1S/CH2O3.Ni.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;/p-2
InChkey
ZBQNIFVEJKLWAA-UHFFFAOYSA-L
Canonical Smiles
C(=O)(O)[O-].[OH-].[Ni+2]
Safety and Handling
Risk Statements
R22
Safety Statements
Hazard Codes Xn,NRisk Statements 22-40-43-50/53Safety Statements 22-36/37-60-61RIDADR UN 3077 9/PG 3 WGK Germany 3 RTECS QR6250000 HazardClass 9PackingGroup III
PackingGroup
III
Transport
UN 3077 9/PG 3
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:136.716g/molg/mol
  • Molecular Formula:C17H14N6O2
  • Compound Is Canonicalized:True
  • Exact Mass:135.931
  • Monoisotopic Mass:135.931
  • Complexity:24.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:61.4A^2
  • Heavy Atom Count:6
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcQAAOAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAACAAAAAAAAAAACAAAAgAI AAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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