-
Name
10(1H)-acridinolate, 9-[[3-(dimethylamino)propyl]amino]-1-nitro-, hydrochloride (1:2)
- EINECS
- CAS No. 20064-38-4
- Density
- Solubility
- Melting Point
- Formula C18H20N4O3•2ClH
- Boiling Point 575.4°C at 760 mmHg
- Molecular Weight 413.34
- Flash Point 301.8°C
- Transport Information
- Appearance
- Safety Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and HCl. See also AMINES.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
C-666 Chemical Properties
Molecule structure of C-666 (CAS NO.20064-38-4) :
IUPAC Name: N',N'-Dimethyl-N-(1-nitro-10-oxido-1H-acridin-9-yl)propane-1,3-diamine dihydrochloride
Molecular Weight: 414.30622 g/mol
Molecular Formula: C18H23Cl2N4O3-
Boiling Point: 575.4 °C at 760 mmHg
Flash Point: 301.8 °C
Enthalpy of Vaporization: 90.66 kJ/mol
Vapour Pressure: 4.43E-14 mmHg at 25 °C
Classification Code: Drug / Therapeutic Agent
H-Bond Donor: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 413.114721
MonoIsotopic Mass: 413.114721
Topological Polar Surface Area: 84.7
Heavy Atom Count: 27
Formal Charge: -1
Complexity: 606
Canonical SMILES: CN(C)CCCNC1=C2C(C=CC=C2N(C3=CC=CC=C31)[O-])[N+](=O)[O-].Cl.Cl
InChI: InChI=1S/C18H21N4O3.2ClH/c1-20(2)12-6-11-19-18-13-7-3-4-8-14(13)21(23)15-9-5-10-16(17(15)18)22(24)25;;/h3-5,7-10,16,19H,6,11-12H2,1-2H3;2*1H/q-1;;
InChIKey of C-666 (CAS NO.20064-38-4): RCGRRYWHIQRNQI-UHFFFAOYSA-N
C-666 Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 9mg/kg (9mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Materia Medica Polona Vol. 8, Pg. 252, 1976. |
| mouse | LD50 | oral | 108mg/kg (108mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Materia Medica Polona Vol. 8, Pg. 252, 1976. |
| pigeon | LD50 | intravenous | 9000ug/kg (9mg/kg) | Archivum Immunologiae et Therapiae Experimentalis. Vol. 28, Pg. 777, 1980. | |
| rat | LD50 | intravenous | 5400ug/kg (5.4mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Materia Medica Polona Vol. 8, Pg. 252, 1976. |
| rat | LD50 | oral | 110mg/kg (110mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Materia Medica Polona Vol. 8, Pg. 252, 1976. |
C-666 Safety Profile
Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
C-666 Specification
C-666 (CAS NO.20064-38-4) is also named as 1-Nitro-9-(3-dimethylaminopropylamine)-acridine, N(sup 10)-oxide dihydrochloride ; NSC 295502 ; 1,3-Propanediamine, N,N-dimethyl-N'-(1-nitro-9-acridinyl)-, N-oxide, dihydrochloride (9CI) ; Acridine, 9-((3-(dimethylamino)propyl)amino)-1-nitro-, 10-oxide, dihydrochloride .
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