-
Name
1-(pentyloxy)-1H-benzotriazole
- EINECS
- CAS No. 60455-00-7
- Article Data3
- CAS DataBase
- Density 1.14 g/cm3
- Solubility
- Melting Point
- Formula C11H15N3O
- Boiling Point 308.5 °C at 760 mmHg
- Molecular Weight 205.26
- Flash Point 140.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-(Pentyloxy)-1H-benzotriazole;
- PSA
- LogP
1-Pentoxybenzotriazole Specification
The 1-Pentoxybenzotriazole, with the CAS registry number 60455-00-7. This chemical's molecular formula is C11H15N3O and molecular weight is 205.26. What's more, its systematic name is 1-(Pentyloxy)-1H-benzotriazole.
Physical properties of 1-Pentoxybenzotriazole are: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 39.94 Å2; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 59.4 cm3; (9)Molar Volume: 178.4 cm3; (10)Polarizability: 23.55×10-24 cm3; (11)Surface Tension: 42.1 dyne/cm; (12)Density: 1.14 g/cm3; (13)Flash Point: 140.3 °C; (14)Enthalpy of Vaporization: 54.91 kJ/mol; (15)Boiling Point: 308.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00068 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1nn(OCCCCC)c2ccccc12
(2)InChI: InChI=1/C11H15N3O/c1-2-3-6-9-15-14-11-8-5-4-7-10(11)12-13-14/h4-5,7-8H,2-3,6,9H2,1H3
(3)InChIKey: AXZTWHHHIRFDOQ-UHFFFAOYAQ
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