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Basic Information
CAS No.: 92180-79-5
Name: 2-AMINO-3,7,8-TRIMETHYL-3H-IMIDAZO[4,5-F]QUINOXALINE
Molecular Structure:
Molecular Structure of 92180-79-5 (2-AMINO-3,7,8-TRIMETHYL-3H-IMIDAZO[4,5-F]QUINOXALINE)
Formula: C12H13 N5
Molecular Weight: 227.269
Synonyms: 2-Amino-3,7,8-trimethylimidazo[4,5-f]quinoxaline;7,8-DiMeIQx
Density: 1.42g/cm3
Melting Point: 300掳C
Boiling Point: 459.2°Cat760mmHg
Flash Point: 231.5°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 69.62000
LogP: 2.29670
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Chemistry

Molecule structure of 3,7,8-Trimethyl-3H-imidazo(4,5-f)quinoxa-lin-2-amine (CAS NO.92180-79-5) :

IUPAC Name: 3,7,8-trimethylimidazo[4,5-f]quinoxalin-2-amine 
Molecular Weight: 227.26512 g/mol
Molecular Formula: C12H13N5 
Density: 1.42 g/cm3 
Melting Point: 300°C
Boiling Point: 459.2 °C at 760 mmHg 
Flash Point: 231.5 °C
Index of Refraction: 1.746
Molar Refractivity: 64.67 cm3
Molar Volume: 159.3 cm3
Polarizability: 25.63*10-24 cm3
Surface Tension: 53.6 dyne/cm
Enthalpy of Vaporization: 71.97 kJ/mol
Vapour Pressure: 1.29E-08 mmHg at 25 °C
XLogP3: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Tautomer Count: 3
Exact Mass: 227.117095
MonoIsotopic Mass: 227.117095
Topological Polar Surface Area: 69.6
Heavy Atom Count: 17
Complexity: 297
Canonical SMILES: CC1=NC2=C(C3=C(C=C2)N(C(=N3)N)C)N=C1C
InChI: InChI=1S/C12H13N5/c1-6-7(2)15-10-8(14-6)4-5-9-11(10)16-12(13)17(9)3/h4-5H,1-3H3,(H2,13,16)
InChIKey: JFQHIQJNQCWLNR-UHFFFAOYSA-N
Product Categories: Heterocyclic Compounds; Heterocycles; Mutagenesis Research Chemicals

Uses

 3,7,8-Trimethyl-3H-imidazo(4,5-f)quinoxa-lin-2-amine (CAS NO.92180-79-5) is a mutagenic/carcinogenic heterocyclic amine under moderate conditions such as 37°C and 50 °C.

Toxicity Data With Reference

1.    

mic-sat 1 µLg/plate

     MUREAV    Mutation Research. 178 (1987),25.
2.    

add-hmn-mmr 500 µmol/L

     CRNGDP    Carcinogenesis. 17 (1996),1769.
3.    

dns-rat-lvr 2500 nmol/L

     EMMUEG    Environmental and Molecular Mutagenesis. 12 (1988),53.
4.    

dns-mus-lvr 250 µmol/L

     EMMUEG    Environmental and Molecular Mutagenesis. 12 (1988),53.
5.    

dns-rat-lvr 25 µmol/L

     EMMUEG    Environmental and Molecular Mutagenesis. 12 (1988),53.
6.    

mic-sat 1 nmol/plate/20M

     EMMUEG    Environmental and Molecular Mutagenesis. 38 (2001),268.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 3,7,8-Trimethyl-3H-imidazo(4,5-f)quinoxa-lin-2-amine (CAS NO.92180-79-5) is also called 2-Amino-3,7,8-trimethylimidazo(4,5-f)quinoxaline ; 7,8-DimeIQX ; BRN 6062569 ; CCRIS 6401 ; 3H-Imidazo(4,5-f)quinoxalin-2-amine, 3,7,8-trimethyl- . 3,7,8-Trimethyl-3H-imidazo(4,5-f)quinoxa-lin-2-amine (CAS NO.92180-79-5) is beige-brown solid.