-
Name
DIAZIQUONE
- EINECS
- CAS No. 57998-68-2
- Article Data2
- CAS DataBase
- Density 1.45g/cm3
- Solubility
- Melting Point 230° (dec)
- Formula C16H20 N4 O6
- Boiling Point 469°Cat760mmHg
- Molecular Weight 364.358
- Flash Point 237.4°C
- Transport Information
- Appearance
- Safety Poison by intravenous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES and ESTERS.
- Risk Codes R40
-
Molecular Structure
-
Hazard Symbols
Xn
- Synonyms 1,4-Cyclohexadiene-1,4-dicarbamicacid, 2,5-bis(1-aziridinyl)-3,6-dioxo-, diethyl ester (6CI,7CI); Carbamic acid,[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, diethylester (9CI); 2,5-Diaziridinyl-3,6-bis(carboethoxyamino)-1,4-benzoquinone;3,6-Diaziridinyl-2,5-bis(carboethoxyamino)-1,4-benzoquinone; AZQ;Aziridinylbenzoquinone; CI 904; Diaziquone; NSC 182986
- PSA 116.82000
- LogP 0.34240
Aziridinylquinone Chemical Properties
Product Name: Aziridinylquinone (CAS NO.57998-68-2)
Molecular Formula: C16H20N4O6
Molecular Weight: 364.40g/mol
Mol File: 57998-68-2.mol
Boiling point: 469 °C at 760 mmHg
Flash Point: 237.4 °C
Density: 1.45 g/cm3
Surface Tension: 66.1 dyne/cm
Enthalpy of Vaporization: 73.13 kJ/mol
Vapour Pressure: 5.72E-09 mmHg at 25°C
XLogP3-AA: 0
H-Bond Donor: 2
H-Bond Acceptor: 8
Structure Descriptors of Aziridinylquinone (CAS NO.57998-68-2):
IUPAC Name: ethylN-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
Canonical SMILES: CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC)N3CC3
InChI: InChI=1S/C16H20N4O6/c1-3-25-15(23)17-9-11(19-5-6-19)14(22)10(18-16(24)26-4-2)12(13(9)21)20-7-8-20/h3-8H2,1-2H3,(H,17,23)(H,18,24)
InChIKey: WVYXNIXAMZOZFK-UHFFFAOYSA-N
Aziridinylquinone Toxicity Data With Reference
| 1. | mmo-sat 10 µg/plate | TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. 5 (1985),319. | ||
| 2. | dnd-omi 1 µmol/L | PAACA3 Proceedings of the American Association for Cancer Research. 24 (1983),322. | ||
| 3. | dnd-hmn:emb 50 µmol/L | PAACA3 Proceedings of the American Association for Cancer Research. 24 (1983),246. | ||
| 4. | dnd-hmn:oth 75 µmol/L | CNREA8 Cancer Research. 44 (1984),4447. | ||
| 5. | dnd-mus:leu 57 µmol/L | PAACA3 Proceedings of the American Association for Cancer Research. 24 (1983),246. | ||
| 6. | dnd-ham:ovr 50 µmol/L | CNREA8 Cancer Research. 44 (1984),5634. | ||
| 7. | dns-ham:ovr 300 nmol/L | PAACA3 Proceedings of the American Association for Cancer Research. 24 (1983),322. | ||
| 8. | ipr-mus LD50:11,290 µg/kg | NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 . | ||
| 9. | ivn-mus LD50:10,300 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB80-177934 . |
Aziridinylquinone Safety Profile
Poison by intravenous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES and ESTERS.
Aziridinylquinone Specification
Aziridinylquinone ,its CAS NO. is 57998-68-2,the synonyms is 1,4-Cyclohexadiene-1,4-dicarbamic acid, 2,5-bis(1-aziridinyl)-3,6-dioxo-, diethyl ester ; 2,5-Diaziridinyl-3,6-bis(carboethoxyamino)-1,4-benzoquinone ; 3,6-Bis(carboxyamino)-2,5-diaziridinyl-1,4-benzoquinone ; 3,6-Diaziridinyl-2,5-bis(carboethoxyamino)-1,4-benzoquinone ; 5-20-01-00072 (Beilstein Handbook Reference) ; AZQ ; Aziridinyl benzoquinone ; BRN 1333277 ; CI 904 ; Diaziquona ; Diethyl 2,5-bis-(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-dicarbamate ; NSC 182986 ; Carbamic acid, (2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-, diethyl ester .
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