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| Name |
Quinacrine mustard |
EINECS | N/A |
| CAS No. | 64046-79-3 | Density | 1.271g/cm3 |
| PSA | 40.62000 | LogP | 5.83210 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C23H28 Cl3 N3 O | Boiling Point | 574.1°Cat760mmHg |
| Molecular Weight | 468.854 | Flash Point | 301°C |
| Transport Information | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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 |
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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