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CAS No.: | 33372-39-3 |
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Name: | 4-BIS(2-HYDROXYETHYL)AMINO-2-(5-NITRO-2-THIENYL)QUINAZOLINE |
Molecular Structure: | |
Formula: | C16H16N4O4S |
Molecular Weight: | 360.42 |
Density: | 1.485g/cm3 |
Boiling Point: | 512.5°Cat760mmHg |
Flash Point: | 263.8°C |
Safety: | Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx. |
PSA: | 143.54000 |
LogP: | 2.58070 |
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Product Name: 4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline (CAS NO.33372-39-3)
Molecular Formula: C16H16N4O4S
Molecular Weight: 360.42g/mol
Mol File: 33372-39-3.mol
Boiling point: 512.5 °C at 760 mmHg
Flash Point: 263.8 °C
Density: 1.485 g/cm3
Surface Tension: 80.3 dyne/cm
Enthalpy of Vaporization: 82.52 kJ/mol
Vapour Pressure: 2.5E-11 mmHg at 25°C
XLogP3-AA: 2.2
H-Bond Donor: 2
H-Bond Acceptor: 7
Structure Descriptors of 4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline (CAS NO.33372-39-3):
IUPAC Name: 2-[2-Hydroxyethyl-[2-(5-nitrothiophen-2-yl)quinazolin-4-yl]amino]ethanol
Canonical SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])N(CCO)CCO
InChI: InChI=1S/C16H16N4O4S/c21-9-7-19(8-10-22)16-11-3-1-2-4-12(11)17-15(18-16)13-5-6-14(25-13)20(23)24/h1-6,21-22H,7-10H2
InChIKey: QPDGFLZXRKDMRL-UHFFFAOYSA-N
1. | mma-sat 1250 µg/plate | CNREA8 Cancer Research. 35 (1975),3611. |
EPA Genetic Toxicology Program.
Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.
4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline , its CAS NO. is 33372-39-3, the synonyms are 2,2'-(2-(5-Nitro-2-thienyl)-4-quinazolinyl)iminobis(ethanol) ; BRN 0852831 ; CCRIS 815 ; Quinazoline, 4-bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)- .