The characteristics of Benzenamine,4-ethynyl-N,N-dimethyl- are as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.23; (6)ACD/BCF (pH 7.4): 47.52; (7)ACD/KOC (pH 5.5): 548.61; (8)ACD/KOC (pH 7.4): 551.99; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 ?2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 46.94 cm3; (15)Molar Volume: 146.8 cm3; (16)Polarizability: 18.61×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 83.4 °C; (20)Enthalpy of Vaporization: 46.45 kJ/mol; (21)Boiling Point: 227.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0754 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it may also cause sensitization by inhalation and skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(#C)c1ccc(N(C)C)cc1
(2)InChI: InChI=1/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3
(3)InChIKey: ZWMAYLMVFSCMMS-UHFFFAOYAB
