125-33-7
Product Name:
Primidone
Formula:
C12H14N2O2
Synonyms:
2-Desoxyphenobarbital;5-Ethyl-5-phenylhexahydropyrimidine-4,6-dione;Primidone
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Primaclone is an odorless white crystalline powder. Slightly bitter taste. No acidic properties. (NTP, 1992) |
|---|---|
| Color/Form | Crystals |
| Odor | Odorless |
| Taste | Practically tasteless |
| Melting Point | 538 to 540 °F (NTP, 1992) |
| Solubility | >32.7 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 0.91 |
| LogS | -2.64 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| pH | Has no acidic properties |
| Dissociation Constants | pKa = 12.3 (acidic character of ionizable functional group) |
| Collision Cross Section | 146.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 2250 2239 2242 2243 2202 2244.7 2227.2 2200 2225 2247 2248.7 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H351:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 218.25 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 218.105527694 g/mol |
| Monoisotopic Mass | 218.105527694 g/mol |
| Topological Polar Surface Area | 58.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 279 |
| 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
Primaclone is an odorless white crystalline powder. Slightly bitter taste. No acidic properties. (NTP, 1992)