Product Name

  • Name

    1,4-Pentanediamine,N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-

  • EINECS
  • CAS No. 64046-79-3
  • Density 1.271g/cm3
  • Solubility
  • Melting Point
  • Formula C23H28 Cl3 N3 O
  • Boiling Point 574.1°Cat760mmHg
  • Molecular Weight 468.854
  • Flash Point 301°C
  • Transport Information
  • Appearance
  • Safety A deadly poison by intravenous and intraperitoneal routes. Human mutagenic data reported. When heated to decomposition it emits very toxic fumes of Cl and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 64046-79-3 (1,4-Pentanediamine,N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-)
  • Hazard Symbols
  • Synonyms Acridine,9-[[4-[bis(2-chloroethyl)amino]-1-methylbutyl]amino]-6-chloro-2-methoxy- (6CI);N1,N1-Bis(2-chloroethyl-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamine
  • PSA 40.62000
  • LogP 5.83210

Quinacrine mustard Chemical Properties

Product Name: Quinacrine mustard (CAS NO.64046-79-3)


Molecular Formula: C23H28Cl3N3O
Molecular Weight: 468.89g/mol
Mol File: 64046-79-3.mol
Boiling point: 574.1 °C at 760 mmHg
Flash Point: 301 °C
Density: 1.271 g/cm3
Surface Tension: 49.6 dyne/cm
Enthalpy of Vaporization: 86.02 kJ/mol
Vapour Pressure: 3.49E-13 mmHg at 25°C
XLogP3-AA: 6.5
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Quinacrine mustard (CAS NO.64046-79-3):
  IUPAC Name: 1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine
  Canonical SMILES: CC(CCCN(CCCl)CCCl)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
  InChI: InChI=1S/C23H28Cl3N3O/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28) 
  InChIKey: UKOBAUFLOGFCMV-UHFFFAOYSA-N

Quinacrine mustard Toxicity Data With Reference

1.    

cyt-hmn-lym 1 µg/L/72 H

    ARTODN    Archives of Toxicology. 46 (1980),61.
2.    

msc-ham-lng 1 mg/L

    CNREA8    Cancer Research. 44 (1984),3270.
3.    

ipr-rat LD10:970 µg/kg

    CNCRA6    Cancer Chemotherapy Reports. 17 (1962),1.
4.    

ivn-dog LDLo:910 µg/kg

    CCSUBJ    Cancer Chemotherapy Reports, Part 2. 2 (1965),202.
5.    

ivn-mus LDLo:910 µg/kg

    CCSUBJ    Cancer Chemotherapy Reports, Part 2. 2 (1965),202.

Quinacrine mustard Safety Profile

A deadly poison by intravenous and intraperitoneal routes. Human mutagenic data reported. When heated to decomposition it emits very toxic fumes of Cl and NOx.

Quinacrine mustard Specification

 Quinacrine mustard ,its CAS NO. is 64046-79-3,the synonyms is 4-21-00-06249 (Beilstein Handbook Reference) ; 9-(4-(Bis-beta-chloroethylamino)-1-methylbutylamino)-6-chloro-2-methoxyacridine ; BRN 0056337 ; N1,N1-bis(2-Chloroethyl)-N4-(6-chloro-2-methoxy-9-
acridinyl)-1,4-pentanediamine ; NSC-3424 ; 1,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)- ; Acridine, 9-(4-(bis(2-chloroethyl)amino)-1-methylbutylamino)-6-chloro-2-methoxy- .

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