Name: 1-CBZ-2-HYDROXYMETHYL-PIPERIDINE
SKU: 105706-75-0

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Organic Chemicals (8)
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Basic Information

Molecular Structure:
CAS No.:	105706-75-0
Name:	1-CBZ-2-HYDROXYMETHYL-PIPERIDINE
Article Data:	10

Formula:	C₁₄H₁₉NO₃
Molecular Weight:	249.31
Synonyms:	1-Benzyloxycarbonyl-2-piperidinemethanol;N-Benzyloxycarbonyl-2-piperidinemethanol;1-piperidinecarboxylic acid, 2-(hydroxymethyl)-, phenylmethyl ester;2-Hydroxymethyl-piperidine-1-carboxylic acid benzyl ester;Benzyl 2-(hydroxymethyl)piperidine-1-carboxylate;
Density:	1.163 g/cm³
Boiling Point:	396.374 °C at 760 mmHg
Flash Point:	193.52 °C
Hazard Symbols:	T
Risk Codes:	25-36
Safety:	26-45
PSA:	49.77000
LogP:	2.10790

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Specification

The 1-Cbz-2-hydroxymethylpiperidine, with the CAS registry number 105706-75-0, has the systematic name of benzyl 2-(hydroxymethyl)piperidine-1-carboxylate. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₄H₁₉NO₃.

The characteristics of 1-Cbz-2-hydroxymethylpiperidine are as followings: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 184; (8)ACD/KOC (pH 7.4): 184; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.77 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 68.292 cm³; (15)Molar Volume: 214.402 cm³; (16)Polarizability: 27.073×10^-24cm³; (17)Surface Tension: 47.042 dyne/cm; (18)Density: 1.163 g/cm³; (19)Flash Point: 193.52 °C; (20)Enthalpy of Vaporization: 68.198 kJ/mol; (21)Boiling Point: 396.374 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2C(CO)CCCC2
(2)InChI: InChI=1/C14H19NO3/c16-10-13-8-4-5-9-15(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-11H2
(3)InChIKey: UDGDHNGWPNSYCD-UHFFFAOYAI