Basic information
- Name:
7-Methoxy-1-naphthylacetonitrile
- CAS No.:
138113-08-3
- Molecular Structure:
- Formula:
- C13H11NO
- Molecular Weight:
- 197.23
- Synonyms:
- 7-methoxy-1-naphthyl acetonitrile;
- Density:
- 1.135 g/cm3
- Melting Point:
- 81-83 °C
- Boiling Point:
- 374.3 °C at 760 mmHg
- Flash Point:
- 157.7 °C
- Appearance:
- tan solid
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Specification
The 7-Methoxy-1-naphthylacetonitrile with cas register number of 138113-08-3 belongs to the categories of Aromatics Compounds. It has the appearance of tan solid. Its systematic name is called (7-methoxynaphthalen-1-yl)acetonitrile.
The physical properties about this chemical are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.24; (6)ACD/BCF (pH 7.4): 55.24; (7)ACD/KOC (pH 5.5): 614.76; (8)ACD/KOC (pH 7.4): 614.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 60.23 cm3; (14)Molar Volume: 173.7 cm3; (15)Surface Tension: 46 dyne/cm; (16)Density: 1.135 g/cm3; (17)Flash Point: 157.7 °C; (18)Enthalpy of Vaporization: 62.17 kJ/mol; (19)Boiling Point: 374.3 °C at 760 mmHg; (20)Vapour Pressure: 8.4E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1c2c(ccc1)ccc(OC)c2;
(2)InChI: InChI=1/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3;
(3)InChIKey: PYJMGUQHJINLLD-UHFFFAOYAD
