HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(2-Aminoethylamino)-5-nitropyridine
TIMTEC-BB SBB000234 · 5-nitro-2-pyridylaminoethyl-2-amine · N-(5-Nitro-2-pyridyl)ethylenediamine · 2-(2-AMINOETHYLAMINO)-5-NITROPYRIDINE · N1-(5-Nitropyrid-2-yl)ethane-1,2-diamine · 2-(2-AMINOETHYLAMINO)-5-NITROPYRIDINE 98% · N'-(5-nitropyridin-2-yl)ethane-1,2-diamine · N1-(5-Nitropyridin-2-yl)ethane-1,2-diamine
Identifiers & Physical Properties
| CAS No. | 29602-39-9 |
|---|---|
| Molecular formula | C7H10N4O2 |
| Average molar mass | 182.18 g/mol |
| Monoisotopic mass | 182.08037556 g/mol |
| SMILES | NCCNc1ccc([N+](=O)[O-])cn1 |
| InChIKey | ODHSPTHLPCXPTL-UHFFFAOYSA-N |
| PubChem CID | 122425 |
| EC No. | 249-721-4 |
| DTXSID | DTXSID40183785 |
Chemical & Physical Properties
| XLogP | 0.1 |
|---|---|
| Topological polar surface area | 96.8 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 170 |
| Melting point | 126-128 °C(lit.) |
| Boiling point | 315.57°C (rough estimate) |
| Density | 1.3129 (rough estimate) |
| Refractive index | 1.6700 (estimate) |
| pKa (acidity coefficient) | 9.00±0.10(Predicted) |
| Sensitivity | Air Sensitive |
| InChI | 1S/C7H10N4O2/c8-3-4-9-7-2-1-6(5-10-7)11(12)13/h1-2,5H,3-4,8H2,(H,9,10) |
| InChIKey | ODHSPTHLPCXPTL-UHFFFAOYSA-N |
| SMILES | NCCNc1ccc(cn1)[N+]([O-])=O |
| CAS DataBase Reference | 29602-39-9(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
| Water hazard class (WGK) | 3 |
| Hazard class | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (90.7%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-37/39 |
| Hazard class | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-(2-Aminoethylamino)-5-nitropyridine is used in matrix preparation for the quantification of phospholipids (PLs) by MALDI-TOFMS.