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Home> Hot Product Listed T   > T5S0-O(CO)dAdeBz
1122-73-2 structure

T5S0-O(CO)dAdeBz

Iupac Name:4-methoxy-1,3,5-triazin-2-amine
CAS No.:1122-73-2
Molecular Weight:140.14300
Molecular Formula:C14H15N3O2S (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C4H6N4O/c1-9-4-7-2-6-3(5)8-4/h2H,1H3,(H2,5,6,7,8)
InChkey
NROXQTDIDGVYHK-UHFFFAOYSA-N
Canonical Smiles
COC1=NC=NC(=N1)N
Properties
Melting Point
258-261°C(lit.)
Vapour
5.75E-05mmHg at 25°C
Refractive Index
1.563
HS Code
2933699090
Safety and Handling
Risk Statements
R22; R36/37/38
Safety Statements
S26-S36
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1122-73-2 EC: T5S0-O(CO)dAdeBz ·ECHA C&L Inventory for CAS: CAS: 1122-73-2 EC: T5S0-O(CO)dAdeBz
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:140.14300g/mol
  • Molecular Formula:C14H15N3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:126.054
  • Monoisotopic Mass:126.054
  • Complexity:88.6
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:73.9A^2
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBjoAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAFgAQAAAAAAAAAAYHEAZIFAAg AAABJAAAAAkQAIABQAAIAACACAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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