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Name |
N-Cbz-3-hydroxypiperidine |
EINECS | N/A |
CAS No. | 95798-22-4 | Density | 1.22 g/cm3 |
PSA | 49.77000 | LogP | 1.71780 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H17NO3 | Boiling Point | 384.942 °C at 760 mmHg |
Molecular Weight | 235.283 | Flash Point | 186.606 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Benzyloxycarbonyl-3-hydroxypiperidine; |
Article Data | 14 |
The N-Cbz-3-hydroxypiperidine with the cas number 95798-22-4 is also called 1-Piperidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester. The systematic name is benzyl 3-hydroxypiperidine-1-carboxylate. The molecular formula of this chemical is C13H17NO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.694; (4)ACD/LogD (pH 7.4): 1.694; (5)ACD/BCF (pH 5.5): 11.406; (6)ACD/BCF (pH 7.4): 11.406; (7)ACD/KOC (pH 5.5): 198.757; (8)ACD/KOC (pH 7.4): 198.757; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.77Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 63.653 cm3; (15)Molar Volume: 192.818 cm3; (16)Polarizability: 25.234×10-24cm3; (17)Surface Tension: 53.479 dyne/cm; (18)Enthalpy of Vaporization: 66.84 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)N2CCCC(C2)O
(2)InChI: InChI=1/C13H17NO3/c15-12-7-4-8-14(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2
(3)InChIKey: NDGWBAFATMSBHZ-UHFFFAOYAJ