Benzyl 4-bromopiperidine-1-carboxylate supplier

Name
BENZYL 4-BROMOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
EINECS
CAS No. 166953-64-6
Article Data4
CAS DataBase
Density 1.418g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆BrNO₂
Boiling Point 385.1 °C at 760 mmHg
Molecular Weight 298.18
Flash Point 186.7 °C
Transport Information
Appearance
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;
PSA 29.54000
LogP 3.12040

Benzyl 4-bromopiperidine-1-carboxylate Specification

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

Product Name

BENZYL 4-BROMOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE

Benzyl 4-bromopiperidine-1-carboxylate Specification

Related Products

Hot Products