CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Oil |
|---|---|
| Boiling Point | 137-145 °C @ 0.1-0.15 MM HG |
| Melting Point | 216 |
| Flash Point | No Data |
| Solubility | 1 G SOL IN ABOUT 2 ML H2O, 11 ML ALC; 1 G SOL IN ABOUT 4 ML CHLOROFORM; PRACTICALLY INSOL IN ETHER, BENZENE /CHLORCYCLIZINE HYDROCHLORIDE/ |
| LogP | LogP = 3.45 |
| Dissociation Constants | PKA(1)= 7.81 & PKA(2)= 2.43 |
| Kovats Retention Index | 2215 2232 2240 2215 2220 2230 2240 2225 2232.1 |
| Other Experimental Properties | ODORLESS OR ALMOST ODORLESS; ITS SOLN ARE ACID TO LITMUS; PH (1 IN 100 SOLN) BETWEEN 4.8 & 5.5 /CHLORCYCLIZINE HYDROCHLORIDE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 300.8 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 300.1393264 g/mol |
| Monoisotopic Mass | 300.1393264 g/mol |
| Topological Polar Surface Area | 6.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 300 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine is a diarylmethane.