This chemical is called Stearic acid,compound with N-methylcyclohexylamine (1:1), and its systematic name is N-methylcyclohexanamine; octadecanoic acid. With the molecular formula of C25H51NO2, its molecular weight is 397.68. Its EINECS number is 275-520-6. The CAS registry number of this chemical is 71486-47-0.
Physical properties about Stearic acid,compound with N-methylcyclohexylamine (1:1) are: (1)ACD/LogP: 9.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.29; (4)ACD/LogD (pH 7.4): 7.34 ; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 17; (8)Polar Surface Area: 49.33 Å2; (9)Flash Point: 267.4 °C; (10)Enthalpy of Vaporization: 86.57 kJ/mol; (11)Boiling Point: 518.6 °C at 760 mmHg; (12)Vapour Pressure: 3.78E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)CCCCCCCCCCCCCCCCC.CNC1CCCCC1;
(2)Std. InChI:InChI=1S/C18H36O2.C7H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8-7-5-3-2-4-6-7/h2-17H2,1H3,(H,19,20);7-8H,2-6H2,1H3;
(3)Std. InChIKey:RDSVHGAVMQCGCM-UHFFFAOYSA-N;
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