4764-17-4
Product Name:
1-(1,3-BENZODIOXOL-5-YL)PROPAN-2-AMINE
Formula:
C10H13NO2
Synonyms:
(±)-3,4-Methylenedioxyamphetamine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Almost colorless oil |
|---|---|
| Boiling Point | 157 °C at 22 mm Hg; 80-90 °C at 0.2 mm Hg |
| LogP | 1.64 |
| Decomposition | When heated to decomposition it emits toxic fumes of /Nitrogen oxides/. |
| Dissociation Constants | 9.67 (at 25 °C) |
| Kovats Retention Index | 1443 1443 1434 1470 1495 1472 1480 1464.6 1472 1460 1460 |
| Other Experimental Properties | Crystals from isopropanol/ether, mp 187-188 °C ... also reported as mp 180-181 °C ... Easily soluble in water, alcohol /Hydrochloride/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 179.22 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 179.094628657 g/mol |
| Monoisotopic Mass | 179.094628657 g/mol |
| Topological Polar Surface Area | 44.5 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 174 |
| 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
3,4-Methylenedioxyamphetamine is a member of benzodioxoles.