Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Benzyl-3-bromopiperidine-4-one |
EINECS | N/A |
CAS No. | 104860-16-4 | Density | 1.436 g/cm3 |
PSA | 20.31000 | LogP | 2.16280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H14BrNO | Boiling Point | 350.931 °C at 760 mmHg |
Molecular Weight | 268.1497 | Flash Point | 166.037 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-benzyl-3-bromopiperidine-4-one;N-benzyl-3-bromopiperidin-4-one; |
Article Data | 1 |
The CAS registry number of 1-Benzyl-3-bromopiperidine-4-one is 104860-16-4. This chemical's molecular formula is C12H14BrNO and molecular weight is 268.1497. What's more, its systematic name is called 1-Benzyl-3-bromopiperidin-4-one.
Physical properties about 1-Benzyl-3-bromopiperidine-4-one are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 147; (8)ACD/KOC (pH 7.4): 238; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 63.708 cm3; (15)Molar Volume: 186.677 cm3; (16)Surface Tension: 50.18 dyne/cm; (17)Density: 1.436 g/cm3; (18)Flash Point: 166.037 °C; (19)Enthalpy of Vaporization: 59.558 kJ/mol; (20)Boiling Point: 350.931 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CCN(Cc1ccccc1)CC2Br
(2) InChI: InChI=1/C12H14BrNO/c13-11-9-14(7-6-12(11)15)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
(3) InChIKey: WYAPDFWEFUDKDF-UHFFFAOYAM