Basic information
- Name:
1-Naphthaleneethanamine, 7-methoxy-
- Superlist Name:
- 2-(7-Methoxynaphthalen-1-yl)ethanamine
- CAS No.:
138113-09-4
- Molecular Structure:
- Formula:
- C13H15NO
- Molecular Weight:
- 201.26
- Synonyms:
- 2-(7-Methoxy-1-naphthyl)ethanamine;7-Methoxy-1-naphthaleneethanamine;2-(7-Methoxynaphthalen-1-yl)ethan-1-amine;
- Density:
- 1.094 g/cm3
- Boiling Point:
- 353.567 °C at 760 mmHg
- Flash Point:
- 175.306 °C
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Specification
The 1-Naphthaleneethanamine, 7-methoxy-, with the CAS registry number 138113-09-4, is also known as 7-Methoxy-1-naphthaleneethanamine. This chemical's molecular formula is C13H15NO and molecular weight is 201.26. What's more, its systematic name is 2-(7-Methoxy-1-naphthyl)ethanamine.
Physical properties of 1-Naphthaleneethanamine, 7-methoxy- are: (1)ACD/LogP: 2.885; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 4.77; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.25 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 63.858 cm3; (15)Molar Volume: 184.046 cm3; (16)Polarizability: 25.315×10-24cm3; (17)Surface Tension: 43.7750015258789 dyne/cm; (18)Density: 1.094 g/cm3; (19)Flash Point: 175.306 °C; (20)Enthalpy of Vaporization: 59.851 kJ/mol; (21)Boiling Point: 353.567 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O(c2ccc1c(c(ccc1)CCN)c2)C
(2)Std. InChI:InChI=1S/C13H15NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7-8,14H2,1H3
(3)Std. InChIKey:YXDUMIVUPSVYLB-UHFFFAOYSA-N
