Benzenamine, 2-propyl- (1821-39-2)

The 2-Propylaniline, with the CAS registry number 1821-39-2 and EINECS registry number 217-346-5, is also called 2-Methyl-6-ethyl aniline. The molecular formula of the chemical is C₉H₁₃N. And it belongs to the following product categories: Amines; C9 to C10; Nitrogen Compounds.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 42.02; (6)ACD/BCF (pH 7.4): 43.52; (7)ACD/KOC (pH 5.5): 500.33; (8)ACD/KOC (pH 7.4): 518.22; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 44.67 cm³; (15)Molar Volume: 141 cm³; (16)Polarizability: 17.7×10^-24cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 0.958 g/cm³; (19)Flash Point: 97.8 °C; (20)Enthalpy of Vaporization: 45.95 kJ/mol; (21)Boiling Point: 223 °C at 760 mmHg; (22)Vapour Pressure: 0.0986 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); 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: Nc1ccccc1CCC
(2)InChI: InChI=1/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3
(3)InChIKey: WKURVXXDGMYSDP-UHFFFAOYAS

The toxicity data is as follows: