N-BENZYL-B-NAPHTHYL-AMINE

The 2-Naphthalenamine,N-(phenylmethyl)-, with the CAS registry number of 13672-18-9, is also known as N-Benzyl-2-naphthylamine. Its molecular formula is C₁₇H₁₅N and molecular weight is 233.31. What's more, its IUPAC name is N-Benzylnaphthalen-2-amine.

Physical properties about the 2-Naphthalenamine,N-(phenylmethyl)- are: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1162; (6)ACD/BCF (pH 7.4): 1211; (7)ACD/KOC (pH 5.5): 5378; (8)ACD/KOC (pH 7.4): 5603; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.03 Å²; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 78.192 cm³; (15)Molar Volume: 203.707 cm³; (16)Surface Tension: 50.169 dyne/cm; (17)Density: 1.145 g/cm³; (18)Flash Point: 215.501 °C; (19)Enthalpy of Vaporization: 65.802 kJ/mol; (20)Boiling Point: 406.307 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation: this chemical is prepared by Benzylidene-naphthalen-2-yl-amine. The reaction needs reagent 3,5-Bis(ethoxycarbonyl)-1,4-dihydro-2,6-dimethylpyridine and solvent Acetic acid. The yield is about 89 %.

Uses: it is used to produce other chemicals. For example, it is used to produce N-Benzyl-4-methyl-N-naphthalen-2-yl-benzenesulfonamide. This reaction needs reagent NaOH. The yield is about 80 %.

You can still convert the following datas into molecular structure:
(1) SMILES: c2cccc3ccc(NCc1ccccc1)cc23
(2) InChI: InChI=1/C17H15N/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18H,13H2
(3) InChIKey: KBOITYDYBXNTMF-UHFFFAOYAF