N-Cbz-3-piperidineacetic acid supplier

Name
N-Cbz-3-piperidineacetic acid
EINECS 1308068-626-2
CAS No. 86827-10-3
Article Data2
CAS DataBase
Density 1.216 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₉NO₄
Boiling Point 460.1 °C at 760 mmHg
Molecular Weight 277.32
Flash Point 232 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Piperidineaceticacid, 1-[(phenylmethoxy)carbonyl]-;{1-[(Benzyloxy)carbonyl]piperidin-3-yl}acetic acid;2-{1-[benzyloxycarbonyl]-3-piperidyl}acetic acid;
PSA 66.84000
LogP 2.44780

N-Cbz-3-piperidineacetic acid Specification

The N-Cbz-3-piperidineacetic acid, with the CAS registry number 86827-10-3, is also known as 5-Methyl-1H-pyrazol-3-ol. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₅H₁₉NO₄ and molecular weight is 277.32. What's more, its IUPAC name is 2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid.

Physical properties of N-Cbz-3-piperidineacetic acid are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): -0.74; (5)ACD/BCF (pH 5.5): 2.39; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 72.95 cm³; (15)Molar Volume: 228 cm³; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.216 g/cm³; (18)Flash Point: 232 °C; (19)Enthalpy of Vaporization: 75.93 kJ/mol; (20)Boiling Point: 460.1 °C at 760 mmHg; (21)Vapour Pressure: 2.93E-09 mmHg at 25°C.

Uses of N-Cbz-3-piperidineacetic acid: it can be used to produce 3-methoxycarbonylmethyl-piperidine-1-carboxylic acid benzyl ester. It will need solvent diethyl ether with the reaction time of 40 min. The yield is about 38%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CC(=O)O
(2)InChI: InChI=1S/C15H19NO4/c17-14(18)9-13-7-4-8-16(10-13)15(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18)
(3)InChIKey: YVOXXKXHRGVDOF-UHFFFAOYSA-N

Product Name

N-Cbz-3-piperidineacetic acid

N-Cbz-3-piperidineacetic acid Specification

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