Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzyl 4-bromopiperidine-1-carboxylate |
EINECS | N/A |
CAS No. | 166953-64-6 | Density | 1.418g/cm3 |
PSA | 29.54000 | LogP | 3.12040 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H16BrNO2 | Boiling Point | 385.1 °C at 760 mmHg |
Molecular Weight | 298.18 | Flash Point | 186.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
benzyl 4-bromopiperidine-1-carboxylate;Benzyl 4-bromotetrahydro-1(2H)-pyridinecarboxylate, 90+%;4-bromo-n-cbz piperidine; |
Article Data | 4 |
The Benzyl 4-bromopiperidine-1-carboxylate with cas registry number of 166953-64-6, belongs to the following product categorie: API intermediates. Its systematic name and IUPAC name are the same, which is benzyl 4-bromopiperidine-1-carboxylate. And its refractive index is 1.5590.
Physical properties about this chemical are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 95.2; (6)ACD/BCF (pH 7.4): 95.2; (7)ACD/KOC (pH 5.5): 907.67; (8)ACD/KOC (pH 7.4): 907.67; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 69.84 cm3; (15)Molar Volume: 210.1 cm3; (16)Polarizability: 27.69×10-24cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Enthalpy of Vaporization: 63.38 kJ/mol; (19)Vapour Pressure: 3.91E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC2CCN(C(=O)OCc1ccccc1)CC2;
(2)InChI: InChI=1/C13H16BrNO2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2;
(3)InChIKey: BFWKSPOSMPKTSV-UHFFFAOYAR;
(4)Std. InChI: InChI=1S/C13H16BrNO2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2;
(5)Std. InChIKey: BFWKSPOSMPKTSV-UHFFFAOYSA-N