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