-
Name
PHENOL, 2-(1,1-DIMETHYLETHYL)-6-(1-METHYLETHYL)-4-(3-PYRIDAZINYLAMINO)-
- EINECS
- CAS No. 114548-84-4
- Density 1.109 g/cm3
- Solubility
- Melting Point 157-158 °C
- Formula C17H23N3O
- Boiling Point 407.9 °C at 760 mmHg
- Molecular Weight 285.38
- Flash Point 200.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms PHENOL, 2-(1,1-DIMETHYLETHYL)-6-(1-METHYLETHYL)-4-(3-PYRIDAZINYLAMINO)-;2-(1,1-Dimethylethyl)-6-(1-methylethyl)-4-(3-pyridazinylamino)phenol
- PSA 58.04000
- LogP 4.41970
2-(1,1-Dimethylethyl)-6-(1-methylethyl)-4-(3-pyridazinylamino)phenol Specification
The 2-(1,1-Dimethylethyl)-6-(1-methylethyl)-4-(3-pyridazinylamino)phenol is an organic compound with the formula C17H23N3O. The IUPAC name of this chemical is (4Z)-2-tert-butyl-4-(1,2-dihydropyridazin-3-ylimino)-6-propan-2-ylcyclohexa-2,5-dien-1-one. With the CAS registry number 114548-84-4, it is also named as 2-Isopropyl-6-(2-methyl-2-propanyl)-4-(3-pyridazinylamino)phenol.
Physical properties about 2-(1,1-Dimethylethyl)-6-(1-methylethyl)-4-(3-pyridazinylamino)phenol are: (1)ACD/LogP: 2.86; (2)ACD/LogD (pH 5.5): 2.85; (3)ACD/LogD (pH 7.4): 2.86; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 58.04 Å2; (8)Index of Refraction: 1.585; (9)Molar Refractivity: 86.26 cm3; (10)Molar Volume: 257.1 cm3; (11)Polarizability: 34.19×10-24cm3; (12)Surface Tension: 45.2 dyne/cm; (13)Density: 1.109 g/cm3; (14)Flash Point: 200.5 °C; (15)Enthalpy of Vaporization: 68.55 kJ/mol; (16)Boiling Point: 407.9 °C at 760 mmHg; (17)Vapour Pressure: 3.1E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1cc(cc(c1O)C(C)(C)C)Nc2cccnn2
(2)InChI: InChI=1/C17H23N3O/c1-11(2)13-9-12(19-15-7-6-8-18-20-15)10-14(16(13)21)17(3,4)5/h6-11,21H,1-5H3,(H,19,20)
(3)InChIKey: JDLPSOQQJDLTTF-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C17H23N3O/c1-11(2)13-9-12(19-15-7-6-8-18-20-15)10-14(16(13)21)17(3,4)5/h6-11,21H,1-5H3,(H,19,20)
(5)Std. InChIKey: JDLPSOQQJDLTTF-UHFFFAOYSA-N
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