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2-Naphthaleneethanamine,a,a-dimethyl- (198226-63-0)

Identification
Name:2-Naphthaleneethanamine,a,a-dimethyl-
Synonyms:[1,1-Dimethyl-2-(naphthalen-2-yl)ethyl]amine;
CAS:198226-63-0
Molecular Formula: C14H17N
Molecular Weight: 199.3
InChI: InChI=1/C14H17N/c1-14(2,15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10,15H2,1-2H3
Molecular Structure: (C14H17N) [1,1-Dimethyl-2-(naphthalen-2-yl)ethyl]amine;
Properties
Density:1.032 g/cm3
Refractive index:1.604
Specification:

This chemical is an organic compound with the formula C14H17N. The systematic name of this chemical is 2-methyl-1-(naphthalen-2-yl)propan-2-amine. With the CAS registry number 198226-63-0, it is also named as 2-naphthaleneethanamine, α,α-dimethyl-. And its molecular weight is 199.3.

The other characteristics of 2-Methyl-1-(naphthalen-2-yl)propan-2-amine can be summarized as: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 7; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 66.411 cm3; (15)Molar Volume: 193.106 cm3; (16)Polarizability: 26.328×10-24 cm3; (17)Surface Tension: 41.934 dyne/cm; (18)Density: 1.032 g/cm3; (19)Flash Point: 155.916 °C; (20)Enthalpy of Vaporization: 57.16 kJ/mol; (21)Boiling Point: 329.14 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C. 

People can use the following data to convert to the molecule structure.
1. SMILES:CC(C)(N)Cc1ccc2ccccc2c1
2. InChI:InChI=1/C14H17N/c1-14(2,15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10,15H2,1-2H3
3. InChIKey:MUSKTCTZFQZRIL-UHFFFAOYAW
4. Std. InChI:InChI=1S/C14H17N/c1-14(2,15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10,15H2,1-2H3
5. Std. InChIKey:MUSKTCTZFQZRIL-UHFFFAOYSA-N

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