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CAS No.: | 129999-60-6 |
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Name: | N-(2-AMINOETHYL)-4-PIPERIDINOL |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H16N2O |
Molecular Weight: | 144.217 |
Synonyms: | 1-(2-Aminoethyl)-4-hydroxypiperidine;1-(2-Aminoethyl)piperidin-4-ol; |
Density: | 1.062 g/cm3 |
Boiling Point: | 273.1 °C at 760 mmHg |
Flash Point: | 119 °C |
PSA: | 49.49000 |
LogP: | 0.04000 |
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The 4-Piperidinol,1-(2-aminoethyl)-, with the CAS registry number 129999-60-6, has the IUPAC name 1-(2-aminoethyl)piperidin-4-ol. Its molecular formula is C7H16N2O and its molecular weight is 144.214740. Additionally, it's also named as N-(2-Aminoethyl)-4-piperidinol.
Other characteristics of the 4-Piperidinol,1-(2-aminoethyl)- can be summarised as followings: (1)ACD/LogP: -1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.93; (4)ACD/LogD (pH 7.4): -3.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 41.07 cm3; (15)Molar Volume: 135.7 cm3; (16)Polarizability: 16.28×10-24cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.062 g/cm3; (19)Flash Point: 119 °C; (20)Enthalpy of Vaporization: 59.38 kJ/mol; (21)Boiling Point: 273.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00075 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC1CCN(CCN)CC1
2.InChI: InChI=1/C7H16N2O/c8-3-6-9-4-1-7(10)2-5-9/h7,10H,1-6,8H2
3.InChIKey: TVPOQFOCXVSORW-UHFFFAOYAU