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90748-01-9
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Basic Information
CAS No.: 90748-01-9
Name: 4-HYDROXYMETHYL-PIPERIDINE HCL
Molecular Structure:
Molecular Structure of 90748-01-9 (4-HYDROXYMETHYL-PIPERIDINE HCL)
Formula: C6H14ClNO
Molecular Weight: 151.636
Synonyms: 4-Piperidinemethanol,hydrochloride (7CI,9CI);
Density: 0.951g/cm3
Boiling Point: 198.2 °C at 760 mmHg
Flash Point: 92.3 °C
PSA: 32.26000
LogP: 1.10910
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Specification

The 4-Piperidinemethanol,hydrochloride (1:1), with CAS registry number 90748-01-9, has the systematic name of 4-(hydroxymethyl)piperidinium chloride. And its IUPAC name is piperidin-4-ylmethanol hydrochloride. Besides this, it is also called Piperidin-4-ylmethanol hydrochloride (1:1). What's more, the chemical formula of this chemical is C6H14ClNO.

Physical properties of 4-Piperidinemethanol,hydrochloride (1:1): (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.34; (4)ACD/LogD (pH 7.4): -3.21; (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: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Enthalpy of Vaporization: 50.54 kJ/mol; (14)Vapour Pressure: 0.0924 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].OCC1CC[NH2+]CC1
(2)InChI: InChI=1/C6H13NO.ClH/c8-5-6-1-3-7-4-2-6;/h6-8H,1-5H2;1H
(3)InChIKey: CPQFGECQYJPNCI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H13NO.ClH/c8-5-6-1-3-7-4-2-6;/h6-8H,1-5H2;1H
(5)Std. InChIKey: CPQFGECQYJPNCI-UHFFFAOYSA-N