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Quinoxaline,1,2,3,4-tetrahydro-(CAS No. 3476-89-9)

Quinoxaline,1,2,3,4-tetrahydro- C8H10N2 (cas 3476-89-9) Molecular Structure

3476-89-9 Structure

Identification and Related Records

【Name】
Quinoxaline,1,2,3,4-tetrahydro-
【Iupac name】
1,2,3,4-tetrahydroquinoxaline
【CAS Registry number】
3476-89-9
【Synonyms】
1,2,3,4-Tetrahydroquinoxaline
NSC 48945
【Molecular Formula】
C8H10N2 (Products with the same molecular formula)
【Molecular Weight】
134.18
【Inchi】
InChI=1/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9-10H,5-6H2
【InChIKey】
HORKYAIEVBUXGM-UHFFFAOYSA-N
【Canonical SMILES】
C1CNC2=CC=CC=C2N1
【MOL File】
3476-89-9.mol

Chemical and Physical Properties

【Density】
1.045g/cm3
【Melting Point】
92-98?°C
【Boiling Point】
289°C at 760 mmHg
【Refractive Index】
1.544
【Flash Point】
176.1°C
【Computed Properties】
Molecular Weight:134.1784 [g/mol]
Molecular Formula:C8H10N2
XLogP3-AA:1.7
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:134.084398
MonoIsotopic Mass:134.084398
Topological Polar Surface Area:24.1
Heavy Atom Count:10
Formal Charge:0
Complexity:99.8
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:0.8
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi: Irritant;Xn: Harmful;
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36/37/39
【HazardClass】
IRRITANT
【Safety】
Hazard Codes Xi,XnRisk Statements 36/37/38-22Safety Statements 26-36/37/39RIDADR UN 2811 6.1/PG 3
【Transport】
UN 2811 6.1/PG 3

Supplier Location

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