Molecular Structure of 4-Hydroxypiperidine hydrochloride (CAS NO.5382-17-2):
IUPAC Name: piperidin-4-ol hydrochloride
Empirical Formula: C5H12ClNO
Molecular Weight: 137.6079
ACD/LogP: -0.52
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -3.61
ACD/LogD (pH 7.4): -3.33
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 9.23Å2
Flash Point: 107.8 °C
Enthalpy of Vaporization: 53.31 kJ/mol
Boiling Point: 222 °C at 760 mmHg
Vapour Pressure: 0.0214 mmHg at 25°C
EINECS: 226-374-7
Melting point: 155-157 °C(lit.)
Product Categories: Piperidine
InChI
InChI=1/C5H11NO.ClH/c7-5-1-3-6-4-2-5;/h5-7H,1-4H2;1H
Smiles
N1CCC(CC1)O.Cl
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 3
4-Hydroxypiperidine hydrochloride , with CAS number of 5382-17-2, can be called Piperidin-4-ol hydrochloride (1:1) ; 4-piperidinol, hydrochloride (1:1) ; Piperidin-4-olhydrochlorid ; Piperidin-4-ol hydrochloride ; 4-Hydroxypiperidinium chloride .
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