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CAS No.: | 26228-68-2 |
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Name: | 4-(Aminomethyl)-1-methyl-piperidin-4-ol |
Molecular Structure: | |
Formula: | C7H16N2O |
Molecular Weight: | 144.217 |
Synonyms: | 4-Amino-4-hydroxymethyl-1-methylpiperidine;4-Aminomethyl-1-methylpiperidin-4-ol;4-Aminomethyl-4-hydroxy-1-methylpiperidine; |
Density: | 1.048 g/cm3 |
Boiling Point: | 255.691 °C at 760 mmHg |
Flash Point: | 108.439 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 49.49000 |
LogP: | 0.04000 |
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The 4-Aminomethyl-1-methylpiperidin-4-ol is an organic compound with the formula C7H16N2O. The IUPAC name of this chemical is 4-(aminomethyl)-1-methylpiperidin-4-ol. With the CAS registry number 26228-68-2, it is also named as 4-Piperidinol, 4-(aminomethyl)-1-methyl-.
Physical properties about 4-Aminomethyl-1-methylpiperidin-4-ol are: (1)ACD/LogP: -1.12; (2)ACD/LogD (pH 5.5): -5.18; (3)ACD/LogD (pH 7.4): -4.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 15.71 Å2; (12)Index of Refraction: 1.508; (13)Molar Refractivity: 41.05 cm3; (14)Molar Volume: 137.6 cm3; (15)Polarizability: 16.27×10-24cm3; (16)Surface Tension: 41.8 dyne/cm; (17)Density: 1.047 g/cm3; (18)Flash Point: 108.4 °C; (19)Enthalpy of Vaporization: 57.29 kJ/mol; (20)Boiling Point: 255.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00243 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC1(CN)CCN(C)CC1
(2)InChI: InChI=1/C7H16N2O/c1-9-4-2-7(10,6-8)3-5-9/h10H,2-6,8H2,1H3
(3)InChIKey: JUHFGHWNBYGKCW-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H16N2O/c1-9-4-2-7(10,6-8)3-5-9/h10H,2-6,8H2,1H3
(5)Std. InChIKey: JUHFGHWNBYGKCW-UHFFFAOYSA-N