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Basic Information
CAS No.: 72820-33-8
Name: naphthalene-1,5-disulfonic acid - N~4~-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N~1~,N~1~-diethylpentane-1,4-diamine (1:1)
Molecular Structure:
Molecular Structure of 72820-33-8 (naphthalene-1,5-disulfonic acid - N~4~-(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)-N~1~,N~1~-diethylpentane-1,4-diamine (1:1))
Formula: C22H35N3O2•C10H8O6S2
Molecular Weight: 661.841
Boiling Point: 517.9°C at 760 mmHg
Flash Point: 267°C
Safety: Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
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  • 6((-4-(DIETHYLAMINO)-1-METHYLBUTYL))-5,8-DIMETHOXY-2,4-DIMETHYLQUINOLINE-1,5-NAPHTHALENE DISULFONATE

  • Casno:

    72820-33-8

    6((-4-(DIETHYLAMINO)-1-METHYLBUTYL))-5,8-DIMETHOXY-2,4-DIMETHYLQUINOLINE-1,5-NAPHTHALENE DISULFONATE

    Min.Order: 1 Kilogram

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Chemistry

IUPAC Name: 4-N-(5,8-Dimethoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine ; naphthalene-1,5-disulfonic acid 
Following is the structure of 6((-4-(Diethylamino)-1-methylbutyl))-5,8-dimethoxy-2,4-dimethylquinoline-1,5-naphthalene disulfonate (CAS NO.72820-33-8):
                       
Empirical Formula: C32H43N3O8S2
Molecular Weight: 661.8291 g/mol
Enthalpy of Vaporization: 79.03 kJ/mol
Boiling Point: 517.9 °C at 760 mmHg
Vapour Pressure: 7.89E-11 mmHg at 25 °C
Flash Point of 6((-4-(Diethylamino)-1-methylbutyl))-5,8-dimethoxy-2,4-dimethylquinoline-1,5-naphthalene disulfonate (CAS NO.72820-33-8): 267 °C
Canonical SMILES: CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C(=CC(=N2)C)C)OC.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O
InChI: InChI=1S/C22H35N3O2.C10H8O6S2/c1-8-25(9-2)12-10-11-16(4)23-18-14-19(26-6)21-20(22(18)27-7)15(3)13-17(5)24-21;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h13-14,16,23H,8-12H2,1-7H3;1-6H,(H,11,12,13)(H,14,15,16)
InChIKey: HXTVZCGWPJPMJS-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus LD50:45 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 20 (1970),1775.
2.    

ivn-brd LD50:47 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 20 (1970),1775.

Safety Profile

Poison by intraperitoneal and intravenous routes. When heated to decomposition, 6((-4-(Diethylamino)-1-methylbutyl))-5,8-dimethoxy-2,4-dimethylquinoline-1,5-naphthalene disulfonate (CAS NO.72820-33-8) emits very toxic fumes of NOx and SOx.

Specification

 6((-4-(Diethylamino)-1-methylbutyl))-5,8-dimethoxy-2,4-dimethylquinoline-1,5-naphthalene disulfonate , its cas register number is 72820-33-8. It also can be called Quinoline, 6-((4-(diethylamino)-1-methylbutyl)amino)-5,8-dimethoxy-2,4-dimethyl-, 1,5-naphthalenedisulfonate . Its classification code is Drug / Therapeutic Agent.