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Basic Information
CAS No.: 7008-42-6
Name: Acronine
Article Data: 18
Molecular Structure:
Molecular Structure of 7008-42-6 (Acronine)
Formula: C20H19 N O3
Molecular Weight: 321.376
Synonyms: Acromycine;Acronin; Acronine; Acronycin; Acronycine; Compound 42339; NCI-C 01536; NSC 403169
Density: 1.208 g/cm3
Melting Point: 175-176ºC
Boiling Point: 489.821ºC at 760mmHg
Flash Point: 250.035ºC
Solubility: 2.7mg/L(25 oC)
Safety: Moderately toxic by ingestion and intraperitoneal routes. Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 40.46000
LogP: 3.88450
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Chemistry


IUPAC Name: 6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one 
Molecular Weight: 321.36976 g/mol
Molecular Formula: C20H19NO3 
Density: 1.202 g/cm3
Boiling Point: 502.2 °C at 760 mmHg 
Flash Point: 257.5 °C 
Appreance: yellow powder
Water Solubility: water insoluble
Index of Refraction: 1.601
Molar Refractivity: 91.58 cm3
Molar Volume: 267.2 cm3
Polarizability: 36.3*10-24 cm3
Surface Tension: 43.4 dyne/cm 
Enthalpy of Vaporization: 77.12 kJ/mol
Vapour Pressure: 3.24E-10 mmHg at 25 °C
XLogP3: 3.7
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 321.136493
MonoIsotopic Mass: 321.136493
Topological Polar Surface Area: 38.8
Heavy Atom Count: 24
Complexity: 543
Canonical SMILES: CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C
InChI: InChI=1S/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3
InChIKey: SMPZPKRDRQOOHT-UHFFFAOYSA-N
Synonyms of Acronycine (CAS NO.7008-42-6): Acronine ; 3,12-Dihydro-6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one ; 3,3,12-Trimethyl-6-methoxy-7,12-dihydro-3H-pyrano[2,3-c]acridine-7-one ; Compound 42339 ; NSC-403169

Toxicity Data With Reference

1.    

dni-mus:leu 1 µmol/L

     CNREA8    Cancer Research. 33 (1973),2310.
2.    

orl-mus LD50:522 mg/kg

     NCISP*    National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN 86 .
3.    

ipr-mus LD50:613 mg/kg

     NCISP*    National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN 86 .
4.    

cyt-mus:fbr 10 mg/L/24H

     ARZNAD    Arzneimittel-Forschung. Drug Research. 27 (1977),1549.
5.    

ipr-rat TDLo:1170 mg/kg/1Y-I:CAR

     NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) NCI-CG-TR-49 ,1978.
6.    

ipr-rat TD:1800 mg/kg/1Y-I:CAR

     NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) NCI-CG-TR-49 ,1978.

Consensus Reports

NCI Carcinogenesis Bioassay (ipr); Inadequate Studies: mouse NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) NCI-CG-TR-49 ,1978. ; Clear Evidence: rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) NCI-CG-TR-49 ,1978.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

Reactivity Profile Amines, like Acronycine (CAS NO.7008-42-6), are weak chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Health Hazard: When heated to decomposition Acronycine (CAS NO.7008-42-6) emits toxic fumes.
Fire Hazard: Flash point data for Acronycine (CAS NO.7008-42-6) are not available. Acronycine (CAS NO.7008-42-6 is probably combustible.