4-(Hexadecylamino)benzylamine

The CAS register number of 4-(Hexadecylamino)benzylamine is 84670-96-2. It also can be called as Benzenemethanamine, 4-(hexadecylamino)- and the systematic name about this chemical is 4-(aminomethyl)-N-hexadecylaniline. The molecular formula about this chemical is C₂₃H₄₂N₂ and the molecular weight is 346.59.

Physical properties about 4-(Hexadecylamino)benzylamine are: (1)ACD/LogP: 8.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.34; (4)ACD/LogD (pH 7.4): 5.73; (5)ACD/BCF (pH 5.5): 1222.44; (6)ACD/BCF (pH 7.4): 2983.15; (7)ACD/KOC (pH 5.5): 744.72; (8)ACD/KOC (pH 7.4): 1817.35; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 6.48Ų; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 113.8 cm³; (15)Molar Volume: 376.4 cm³; (16)Polarizability: 45.11x10^-24cm³; (17)Surface Tension: 37 dyne/cm; (18)Flash Point: 288.9 °C; (19)Enthalpy of Vaporization: 74.21 kJ/mol; (20)Boiling Point: 478 °C at 760 mmHg; (21)Vapour Pressure: 2.66E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccc(cc1)CN)CCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C23H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-23-18-16-22(21-24)17-19-23/h16-19,25H,2-15,20-21,24H2,1H3
(3)InChIKey: MMENAVHICGTNAT-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C23H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-23-18-16-22(21-24)17-19-23/h16-19,25H,2-15,20-21,24H2,1H3
(5)Std. InChIKey: MMENAVHICGTNAT-UHFFFAOYSA-N