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533-15-3

Basic Information
CAS No.: 533-15-3
Name: N-METHYLPIPERIDINE-2-ETHANOL
Molecular Structure:
Molecular Structure of 533-15-3 (N-METHYLPIPERIDINE-2-ETHANOL)
Formula: C8H17NO
Molecular Weight: 143.229
Synonyms: 2-(1-Methylpiperidin-2-yl)ethanol;2-(2-Hydroxyethyl)-1-methylpiperidine;NSC 75616;
EINECS: 208-554-7
Density: 0.938 g/cm3
Boiling Point: 209.7 °C at 760 mmHg
Flash Point: 79.9 °C
Hazard Symbols: Xn
Risk Codes: 22-37/38-41
Safety: 26-39
PSA: 23.47000
LogP: 0.79100
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Specification

The 2-Piperidineethanol,1-methyl-, with the CAS registry number 533-15-3, is also known as 2-(1-Methyl-2-piperidinyl)-1-ethanol. Its EINECS registry number is 208-554-7. This chemical's molecular formula is C8H17NO and molecular weight is 143.23. What's more, both its IUPAC name and systematic name are the same which is called 2-(1-Methylpiperidin-2-yl)ethanol.

Physical properties about 2-Piperidineethanol,1-methyl- are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -1.46; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 42.19 cm3; (15)Molar Volume: 152.5 cm3; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 0.938 g/cm3; (18)Flash Point: 79.9 °C; (19)Enthalpy of Vaporization: 51.87 kJ/mol; (20)Boiling Point: 209.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0459 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCC1N(C)CCCC1
(2) InChI: InChI=1/C8H17NO/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3
(3) InChIKey: OVMRRCXDBKEQIU-UHFFFAOYAT