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Home> Hot Product Listed R   > ROSE BENGAL LACTONE
616-34-2 structure

ROSE BENGAL LACTONE

Iupac Name:methyl 2-aminoacetate
CAS No.:616-34-2
Molecular Weight:89.09320
Molecular Formula:C27H36N4O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3
InChkey
KQSSATDQUYCRGS-UHFFFAOYSA-N
Canonical Smiles
COC(=O)CN
Properties
Density
1.23
Boiling Point
197.499 °C at 760 mmHg
Flash Point
183.2°C
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 616-34-2 EC: ROSE BENGAL LACTONE ·ECHA C&L Inventory for CAS: CAS: 616-34-2 EC: ROSE BENGAL LACTONE
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:89.09320g/mol
  • Molecular Formula:C27H36N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:89.048
  • Monoisotopic Mass:89.048
  • Complexity:52.8
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:52.3A^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:1
  • CACTVS Substructure Key Fingerprint: AAADcYBCMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAAAADBgAYCCABABAAI AACQCAAAAAAAAAAAAICAAAACAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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