The Bis(2-hydroxypropyl)ammonium myristate, with the CAS registry number 83270-36-4, has the IUPAC name 1-(2-hydroxypropylamino)propan-2-ol; tetradecanoic acid. Its molecular formula is C20H43NO4 and its molecular weight is 361.5597. Additionally, it's also named as 2-hydroxy-N-(2-hydroxypropyl)propan-1-aminium tetradecanoate.
Other characteristics of the Bis(2-hydroxypropyl)ammonium myristate can be summarised as followings: (1)ACD/LogP: 6.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.3; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 4011.14; (6)ACD/BCF (pH 7.4): 64.35; (7)ACD/KOC (pH 5.5): 7846.04; (8)ACD/KOC (pH 7.4): 125.88; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 144.8 °C; (14)Enthalpy of Vaporization: 59.25 kJ/mol; (15)Boiling Point: 319.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000139 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-]C(=O)CCCCCCCCCCCCC.OC(C)C[NH2+]CC(O)C
2.InChI: InChI=1/C14H28O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5(8)3-7-4-6(2)9/h2-13H2,1H3,(H,15,16);5-9H,3-4H2,1-2H3
3.InChIKey: WPHZDLROOHEOOY-UHFFFAOYAC
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