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| Name |
4-(2,3-Dihydroxypropylamino)-2-(5-nitro-2-thienyl)quinazoline |
EINECS | N/A |
| CAS No. | 33372-40-6 | Density | 1.543g/cm3 |
| PSA | 155.56000 | LogP | 1.97670 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H14N4O4S | Boiling Point | 567.7°Cat760mmHg |
| Molecular Weight | 346.39 | Flash Point | 297.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
PNTQ; |
4-(2,3-Dihydroxypropylamino)-2-(5-nitro-2-thienyl)quinazoline Chemical Properties
Product Name: 4-(2,3-Dihydroxypropylamino)-2-(5-nitro-2-thienyl)quinazoline (CAS NO.33372-40-6)
Molecular Formula: C15H14N4O4S
Molecular Weight: 346.39g/mol
Mol File: 33372-40-6.mol
Boiling point: 567.7 °C at 760 mmHg
Flash Point: 297.1 °C
Density: 1.543 g/cm3
Surface Tension: 84.5 dyne/cm
Enthalpy of Vaporization: 89.65 kJ/mol
Vapour Pressure: 1E-13 mmHg at 25°C
XLogP3-AA: 2.6
H-Bond Donor: 3
H-Bond Acceptor: 7
Structure Descriptors of 4-(2,3-Dihydroxypropylamino)-2-(5-nitro-2-thienyl)quinazoline (CAS NO.33372-40-6):
IUPAC Name: 3-[[2-(5-Nitrothiophen-2-yl)quinazolin-4-yl]amino]propane-1,2-diol
Canonical SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])NCC(CO)O
InChI: InChI=1S/C15H14N4O4S/c20-8-9(21)7-16-14-10-3-1-2-4-11(10)17-15(18-14)12-5-6-13(24-12)19(22)23/h1-6,9,20-21H,7-8H2,(H,16,17,18)
InChIKey: PXASLEFBHWPUSR-UHFFFAOYSA-N
4-(2,3-Dihydroxypropylamino)-2-(5-nitro-2-thienyl)quinazoline Toxicity Data With Reference
| 1. | mmo-sat 1 µg/plate | CNREA8 Cancer Research. 35 (1975),3611. |
4-(2,3-Dihydroxypropylamino)-2-(5-nitro-2-thienyl)quinazoline Safety Profile
Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.
4-(2,3-Dihydroxypropylamino)-2-(5-nitro-2-thienyl)quinazoline Specification
4-(2,3-Dihydroxypropylamino)-2-(5-nitro-2-thienyl)quinazoline , its CAS NO. is 33372-40-6, the synonyms are 1,2-Propanediol, 3-((2-(5-nitro-2-thienyl)-4-quinazolinyl)amino)- ; 3-(2-(5-Nitro-2-thienyl)-4-quinazolinylamino)-1,2-propanediol ; BRN 0580977 ; PNTQ ; Quinazoline, 4-(2,3-dihydroxypropylamino)-2-(5-nitro-2-thienyl)- .
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