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Home> Hot Product Listed A   > ARONIS023386
14160-85-1 structure

ARONIS023386

Iupac Name:(5Z)-5-(hydroxymethylidene)-2-methyl-1H-pyrimidine-4,6-dione
CAS No.:14160-85-1
Molecular Weight:154.125
Molecular Formula:C11H9CLN2O (isomer)
Names and Identifiers
Synonyms

[1-(4-propoxyphenyl)propyl]amine hydrochloride 1-(4-propoxyphenyl)-1-propanamine hydrochloride 1-(4-propoxyphenyl)propan-1-amine--hydrogen chloride (1/1) AK-71265 AKOS005110927 bb0293028 bbb/875 DTXSID20647299 mfcd10703566 MOLPORT-006-710-721 OR142315 SCHEMBL4935613 zx-as004104 zx-cm006610

Inchi
InChI=1S/C6H6N2O3/c1-3-7-5(10)4(2-9)6(11)8-3/h2,9H,1H3,(H,7,8,10,11)
InChkey
ZVHRUNSLGSHJLP-UHFFFAOYSA-N
Canonical Smiles
CC1=NC(=O)C(=CO)C(=O)N1
Properties
HS Code
29335990
Safety and Handling
Risk Statements
36/37/38
Safety Statements
24/25
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:154.125g/mol
  • Molecular Formula:C11H9CLN2O
  • Compound Is Canonicalized:True
  • Exact Mass:154.038
  • Monoisotopic Mass:154.038
  • Complexity:278
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:78.8A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAADAChgAIDAALAAgCo AgNyNACAAAEAIAABAAEQAEAAEAgISAAEAAAAFACAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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