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| Name |
Acridine, 9-((3-(hexylamino)propyl)amino)-1-nitro-, dihydrochloride |
EINECS | N/A |
| CAS No. | 77280-91-2 | Density | N/A |
| PSA | 86.00000 | LogP | 7.20810 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H28 N4 O2 . 2 Cl H | Boiling Point | 575.9oC at 760 mmHg |
| Molecular Weight | 453.46 | Flash Point | 302.1oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal and intravenous routes. Human mutation data reported. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,3-Propanediamine,N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride (9CI); C 1006; C 1006(pharmaceutical) |
Acridine, 9-((3-(hexylamino)propyl)amino)-1-nitro-, dihydrochloride Chemical Properties
Empirical Formula of Acridine, 9-((3-(hexylamino)propyl)amino)-1-nitro-, dihydrochloride (CAS NO.77280-91-2): C22H30Cl2N4O2
Molecular Weight: 453.4052
Flash Point: 302.1 °C
Enthalpy of Vaporization: 86.25 kJ/mol
Boiling Point: 575.9 °C at 760 mmHg
Vapour Pressure: 2.89E-13 mmHg at 25 °C
Structure of Acridine, 9-((3-(hexylamino)propyl)amino)-1-nitro-, dihydrochloride (CAS NO.77280-91-2):
IUPAC Name: N-Hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine dihydrochloride
Canonical SMILES: CCCCCCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl.Cl
InChI: InChI=1S/C22H28N4O2.2ClH/c1-2-3-4-7-14-23-15-9-16-24-22-17-10-5-6-11-18(17)25-19-12-8-13-20(21(19)22)26(27)28;;/h5-6,8,10-13,23H,2-4,7,9,14-16H2,1H3,(H,24,25);2*1H
InChIKey: JEWVXBXBNITZRB-UHFFFAOYSA-N
Acridine, 9-((3-(hexylamino)propyl)amino)-1-nitro-, dihydrochloride Toxicity Data With Reference
| 1. | dnd-hmn-hla 2500 nmol/L | CBINA8 Chemico-Biological Interactions. 49 (1984),311. | ||
| 2. | dns-hmn-hla 1 µmol/L | CBINA8 Chemico-Biological Interactions. 49 (1984),311. | ||
| 3. | hma-mus-hla 44 mg/kg | BCPCA6 Biochemical Pharmacology. 38 (1989),1301. | ||
| 4. | ipr-mus LD50:3820 µg/kg | AITEAT Archivum Immunologiae et Therapiae Experimentalis. 30 (1982),385. | ||
| 5. | ivn-pgn LD50:10,500 µg/kg | AITEAT Archivum Immunologiae et Therapiae Experimentalis. 28 (1980),777. |
Acridine, 9-((3-(hexylamino)propyl)amino)-1-nitro-, dihydrochloride Safety Profile
A poison by intraperitoneal and intravenous routes. Human mutation data reported.
Acridine, 9-((3-(hexylamino)propyl)amino)-1-nitro-, dihydrochloride Specification
Acridine, 9-((3-(hexylamino)propyl)amino)-1-nitro-, dihydrochloride (CAS NO.77280-91-2) also can be called 1-Nitro-9-(3-hexylaminopropylamino)acridine dihydrochloride ; 9-((3-(Hexylamino)propyl)amino)-1-nitroacridine dihydrochloride ; C 1006 ; and 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride .
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