Acetone, DAIH derivative

IUPAC: (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one

CAS 6287-79-2
C26H22N2O2

Acetone, DAIH derivative (CAS 6287-79-2) is a chemical compound with molecular formula C26H22N2O2 and molecular weight 394.5 g/mol . GHS signal word: Danger. Hazard classifications: Toxic.

What is Acetone, DAIH derivative?

Molecular Formula
C26H22N2O2
Molecular Weight
394.50 g/mol

Structure Identifiers

SMILES
CC(=N/N=C/1\C(C(=O)C2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C26H22N2O2/c1-17(2)27-28-24-20-15-9-10-16-21(20)25(29)23(24)26(30)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,22-23H,1-2H3/b28-24-
InChIKey
AGSDZTBXEYDVJT-COOPMVRXSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
394.1681 Da
XLogP
4.20
TPSA
58.9 Ų
H-Bond Donors
0
H-Bond Acceptors
4
Complexity
676
Formal Charge
0

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Toxic GHS06

Hazard Statements

  • H301 Toxic if swallowed

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P270 Do not eat, drink or smoke when using this product
  • P272 Contaminated work clothing should not be allowed out of the workplace
  • P273 Avoid release to the environment
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P330 Rinse mouth
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (6)

  • 6287-79-2
  • 634-702-9
  • RefChem:552389
  • Acetone, DAIH derivative
  • Acetone, DAIH derivative, analytical standard
  • (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one

Frequently asked questions

What is the CAS number of Acetone, DAIH derivative?

The CAS Registry Number for Acetone, DAIH derivative is 6287-79-2.

What is the IUPAC name of Acetone, DAIH derivative?

The IUPAC name of Acetone, DAIH derivative is (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one.

What is the molecular formula of Acetone, DAIH derivative?

Acetone, DAIH derivative has the molecular formula C26H22N2O2 and a molecular weight of 394.5 g/mol.

What is the SMILES notation for Acetone, DAIH derivative?

The SMILES notation for Acetone, DAIH derivative is CC(=N/N=C/1\C(C(=O)C2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C.

Is Acetone, DAIH derivative hazardous?

Acetone, DAIH derivative carries the following GHS hazard classifications: Toxic. Signal word: Danger.

What are other names for Acetone, DAIH derivative?

Acetone, DAIH derivative is also known as (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one, 6287-79-2, 634-702-9, Acetone, DAIH derivative, Acetone, DAIH derivative, analytical standard.

Data sourced from PubChem CID 6507968. Last updated .

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