Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(Acetylamino)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester |
EINECS | N/A |
CAS No. | 182621-52-9 | Density | 1.125 g/cm3 |
PSA | 58.64000 | LogP | 3.37770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H26N2O3 | Boiling Point | 486.887 °C at 760 mmHg |
Molecular Weight | 318.41 | Flash Point | 248.261 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Piperid;tert-Butyl 4-acetamido-4-phenylpiperidine-1-carboxylate;LogP |
Article Data | 1 |
The 4-(Acetylamino)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester, with the CAS registry number 182621-52-9, has the systematic name of tert-butyl 4-acetamido-4-phenyl-piperidine-1-carboxylate. And the molecular formula of the chemical is C18H26N2O3.
The characteristics of 4-(Acetylamino)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester are as followings: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.083; (4)ACD/LogD (pH 7.4): 2.083; (5)ACD/BCF (pH 5.5): 22.555; (6)ACD/BCF (pH 7.4): 22.555; (7)ACD/KOC (pH 5.5): 323.797; (8)ACD/KOC (pH 7.4): 323.797; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.64 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 89.797 cm3; (15)Molar Volume: 282.923 cm3; (16)Polarizability: 35.598×10-24cm3; (17)Surface Tension: 45.002 dyne/cm; (18)Density: 1.125 g/cm3; (19)Flash Point: 248.261 °C; (20)Enthalpy of Vaporization: 75.268 kJ/mol; (21)Boiling Point: 486.887 °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: CC(=O)NC1(CCN(CC1)C(=O)OC(C)(C)C)c2ccccc2
(2)InChI: InChI=1/C18H26N2O3/c1-14(21)19-18(15-8-6-5-7-9-15)10-12-20(13-11-18)16(22)23-17(2,3)4/h5-9H,10-13H2,1-4H3,(H,19,21)
(3)InChIKey: DAWHOSORSVGVSH-UHFFFAOYAP