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Home> Hot Product Listed P   > Pyrazino[2,3-b:5,6-b']diquinoxaline,5,12-dihydro-
830-96-6 structure

Pyrazino[2,3-b:5,6-b']diquinoxaline,5,12-dihydro-

Iupac Name:3-(1H-indol-3-yl)propanoic acid
CAS No.:830-96-6
Molecular Weight:189.21054
Molecular Formula:C6H10CLN3 (isomer)
Names and Identifiers
Synonyms

5,12-Dihydropyrazino(2,3-b:5,6-b')diquinoxaline 5,12-dihydropyrazino[2,3-b:5,6-b']diquinoxaline 5,14-dihydro-5,6,7,12,13,14-hexaazapentacene 5,14-dihydropyrazino[2,3-b:5,6-b']diquinoxaline AC1L590P DTXSID8071988 fluorubin PL067278 pyrazino(2,3-b:5,6-b')diquinoxaline, 5,12-dihydro- pyrazino[2,3-b:5,6-b']diquinoxaline, 5,12-dihydro- SCHEMBL14254470

Inchi
InChI=1/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
InChkey
GOLXRNDWAUTYKT-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=CN2)CCC(=O)O
Properties
Melting Point
130-136℃
Boiling Point
279.4°Cat760mmHg
Vapour
33 mm Hg ( 20 °C)
Refractive Index
n20/D 1.377(lit.)
HS Code
29339990
Safety and Handling
Risk Statements
R22;R36/37/38
Safety Statements
S26;S37/39
Transport
UN 1987 3/PG 3
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:189.21054g/mol
  • Molecular Formula:C6H10CLN3
  • XLogP3-AA:1.8
  • Exact Mass:189.078979
  • Monoisotopic Mass:189.078979
  • Complexity:217
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:53.1
  • Heavy Atom Count:14
  • 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
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  • Fax:86-571-85829153
  • Tel:86-371-86658258
  • Fax:86-371-86658258
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