CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 396.62 |
| Melting Point | 58 |
| Solubility | 0.00087 g/L |
| LogP | 3.9 |
| LogS | -5.5 |
| Stability/Shelf Life | Stable under recommended storage conditions. /Nortriptyline hydrochloride/ |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Dissociation Constants | 10.13 |
| Collision Cross Section | 164.5 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2209 2208 2212 2215 2215 2215 2217 2217 2220 2220 2220 2220 2220 2222 2222 2225 2227 2227 2227 2240 2191 2180 2191 2200 2202 2174 2215 2202 2211 2240 2214 2210 2207.9 2214 2174 2190 2230 2210 2215.6 2228.9 2212 2215 2215 2215 2234.7 |
| Other Experimental Properties | White to off-white powder; slight, characteristic odor /Nortriptyline hydrochloride/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 263.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 263.167399674 g/mol |
| Monoisotopic Mass | 263.167399674 g/mol |
| Topological Polar Surface Area | 12 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 307 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nortriptyline is an organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline. It has a role as a drug metabolite, an antidepressant, an adrenergic uptake inhibitor, an analgesic, an antineoplastic agent and an apoptosis inducer. It is an organic tricyclic compound and a secondary amine. It is functionally related to an amitriptyline. It derives from a hydride of a dibenzo[a,d][7]annulene.