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| Name |
3-t-Butyltricycloquinazoline |
EINECS | N/A |
| CAS No. | 313-94-0 | Density | 1.29g/cm3 |
| PSA | 43.08000 | LogP | 6.03460 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C25H20 N4 | Boiling Point | 587.8°Cat760mmHg |
| Molecular Weight | 377.50 | Flash Point | 309.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Tricycloquinazoline,3-tert-butyl- (7CI,8CI) |
3-t-Butyltricycloquinazoline Chemical Properties
Systematic Name: 3-tert-Butyl-5,10,14c,15-tetraazanaphtho[1,2,3-gh]tetraphene
Synonyms of 3-t-Butyltricycloquinazoline (CAS NO.313-94-0): Tricycloquinazoline, 3-tert-butyl-
CAS NO: 313-94-0
Molecular Formula: C25H20N4
Molecular Weight: 376.4531
Molecular Structure: .png)
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 40.32 Å2
Index of Refraction: 1.723
Molar Refractivity: 115.56 cm3
Molar Volume: 291.3 cm3
Surface Tension: 50.4 dyne/cm
Density: 1.29 g/cm3
Flash Point: 309.3 °C
Enthalpy of Vaporization: 87.76 kJ/mol
Boiling Point: 587.8 °C at 760 mmHg
Vapour Pressure: 8.5E-14 mmHg at 25°C
SMILES: N\4=C1/c6c(\N=C2/N1\C(=N/c3ccc(cc23)C(C)(C)C)c5ccccc/45)cccc6
InChI: InChI=1/C25H20N4/c1-25(2,3)15-12-13-21-18(14-15)24-27-20-11-7-5-9-17(20)22-26-19-10-6-4-8-16(19)23(28-21)29(22)24/h4-14H,1-3H3
InChIKey: XTKMSARQIJVKCC-UHFFFAOYAY
Std. InChI: InChI=1S/C25H20N4/c1-25(2,3)15-12-13-21-18(14-15)24-27-20-11-7-5-9-17(20)22-26-19-10-6-4-8-16(19)23(28-21)29(22)24/h4-14H,1-3H3
Std. InChIKey: XTKMSARQIJVKCC-UHFFFAOYSA-N
3-t-Butyltricycloquinazoline Safety Profile
Questionable carcinogen with experimental carcinogenic data. When 3-t-Butyltricycloquinazoline (CAS NO.313-94-0) is heated to decomposition ,it emits toxic fumes of NOx.
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