HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Aminofluoranthene
3-FLUORANTHENAMINE · 4-Fluoranthenamine · 4-Aminofluoranthene · TIMTEC-BB SBB003376 · 3-AMINOFLUORANTHENE · Fluoranthen-3-amine · 3-AMINOFLUOROANTHENE · fluoranthen-3-ylamine
Identifiers & Physical Properties
| CAS No. | 2693-46-1 |
|---|---|
| Molecular formula | C16H11N |
| Average molar mass | 217.26 g/mol |
| Monoisotopic mass | 217.08914936 g/mol |
| SMILES | Nc1ccc2c3c(cccc13)-c1ccccc1-2 |
| InChIKey | VHGJAFIHUSTRGB-UHFFFAOYSA-N |
| PubChem CID | 17599 |
| ChEMBL | CHEMBL103583 |
| EC No. | 220-263-7 |
| DTXSID | DTXSID2049260 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 300 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (partition coefficient) | 4.2 |
| Melting point | 115-117 °C(lit.) |
| Boiling point | 347.82°C (rough estimate) |
| Density | 1.1227 (rough estimate) |
| Refractive index | 1.8230 (estimate) |
| Storage conditions | 2-8°C(protect from light) |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 4.21±0.30(Predicted) |
| Color | White to Amber |
| λmax | 406nm(H2O)(lit.) |
| InChI | 1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2 |
| InChIKey | VHGJAFIHUSTRGB-UHFFFAOYSA-N |
| SMILES | Nc1ccc2-c3ccccc3-c4cccc1c24 |
| EWG's Food Scores | 1 |
| FDA UNII | 8UN5PRH090 |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS07,GHS09 |
| Signal word | Warning |
| GHS hazard statements | H302-H319-H411 |
| GHS precautionary statements | P273-P305+P351+P338 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xn |
| Risk statements (R) | 22-51/53 |
| Safety statements (S) | 61 |
| UN transport number | UN 3077 9/PG 3 |
| Water hazard class (WGK) | 2 |
| RTECS number | LL4000000 |
| Hazard class | 9Acute Tox. 4 OralAquatic Chronic 2 |
| Packing group | III |
| Customs code | 29214990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 2 |
| RTECS number | LL4000000 |
| UN transport number | UN 3077 9/PG 3 |
| Customs code | 29214990 |
| Risk statements (R) | 22-51/53 |
| Signal word | Warning |
| GHS pictogram | GHS07,GHS09 |
| Hazard symbols | Xn |
| Safety statements (S) | 61 |
| Hazard class | 9Acute Tox. 4 OralAquatic Chronic 2 |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| GHS hazard statements | H302-H319-H411 |
| GHS precautionary statements | P273-P305+P351+P338 |
Applications & Uses
Uses
Fluoranthen-3-amine has been studied as a possible fluorescent probes for ligand-binding assays of odorant-binding proteins.