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60566-40-7

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Basic Information
CAS No.: 60566-40-7
Name: 9-aminoacridylpropranolol
Molecular Structure:
Molecular Structure of 60566-40-7 (9-aminoacridylpropranolol)
Formula: C29H29 N3 O2
Molecular Weight: 451.56
Synonyms: 9-Aminoacridinpropranolol; 9AAP
Density: 1.245g/cm3
Boiling Point: 717.8°C at 760 mmHg
Flash Point: 387.9°C
Safety: Poison by ingestion. Moderately toxic by subcutaneous route. See also PENICILLIN. When heated to decomposition it emits toxic fumes of NOx.
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  • 2-Propanol,1-[[2-(9-acridinylamino)-1-methylethyl]amino]-3-(1-naphthalenyloxy)-

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    2-Propanol,1-[[2-(9-acridinylamino)-1-methylethyl]amino]-3-(1-naphthalenyloxy)-

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    We are a Union of chemistry in China, consists of chemists,engineers, laboratories,factories in China. We organize surplus capacity of R&D and production in China for chemicals cus

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  • 2-Propanol,1-[[2-(9-acridinylamino)-1-methylethyl]amino]-3-(1-naphthalenyloxy)-

  • Casno:

    60566-40-7

    2-Propanol,1-[[2-(9-acridinylamino)-1-methylethyl]amino]-3-(1-naphthalenyloxy)-

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Chemistry

The Molecular Structure of 9-Aminoacridine penicillin (CAS NO.60566-40-7):

Molecular Formula: C29H29N3O2
Molecular Weight: 451.559460 g/mol 
IUPAC: 1-[1-(acridin-9-ylamino)propan-2-ylamino]-3-naphthalen-1-yloxypropan-2-ol
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 1.09
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 85.84
ACD/KOC (pH 5.5): 1.36
ACD/KOC (pH 7.4): 271.35
Polar Surface Area: 37.83Å2
Index of Refraction: 1.712
Molar Refractivity: 141.94 cm3
Molar Volume: 362.4 cm3 
Surface Tension: 58.4 dyne/cm
Density: 1.245 g/cm3
Flash Point: 387.9 °C
Enthalpy of Vaporization: 110.12 kJ/mol
Boiling Point: 717.8 °C at 760 mmHg
Vapour Pressure: 1.26E-21 mmHg at 25°C 
InChI: InChI=1/C29H29N3O2/c1-20(30-18-22(33)19-34-28-16-8-10-21-9-2-3-11-23(21)28)17-31-29-24-12-4-6-14-26(24)32-27-15-7-5-13-25(27)29/h2-16,20,22,30,33H,17-19H2,1H3,(H,31,32) 
Smiles: C([C@@H](COc1cccc2ccccc12)O)N[C@@H](CNc1c2ccccc2nc2ccccc12)C 
Classification Code: Drug / Therapeutic Agent

Toxicity Data With Reference

1.    

orl-mus LD50:227 mg/kg

    JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),498.
2.    

scu-mus LD50:562 mg/kg

    JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),498.

Safety Profile

Poison by ingestion. Moderately toxic by subcutaneous route. See also PENICILLIN. When heated to decomposition it emits toxic fumes of NOx.

Specification

 9-Aminoacridine penicillin (CAS NO.60566-40-7) is also called as 9-Aminoacridylpropranolol ; 9AAP ; Penicillin, compd. with 9-aminoacridine .