HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 3-aminobutyrate
Ethyl 3-aMinobutanoate · NSC 77084 · RARECHEM AK ET C012 · ETHYL 3-AMINOBUTYRATE · Ethyl beta-aminobutyrate · 3-Aminobutyric acid ethyl ester · 3-Aminobutanoic acid ethyl ester · ETHYL 3-AMINOBUTYRATE, TECH., 90%
Identifiers & Physical Properties
| CAS No. | 5303-65-1 |
|---|---|
| Molecular formula | C6H13NO2 |
| Average molar mass | 131.17 g/mol |
| Monoisotopic mass | 131.09462866 g/mol |
| SMILES | CCOC(=O)CC(C)N |
| InChIKey | HHIOOBJZIASBFF-UHFFFAOYSA-N |
| PubChem CID | 98103 |
| EC No. | 226-153-5 |
| DTXSID | DTXSID401314973 |
Chemical & Physical Properties
| XLogP | -0.1 |
|---|---|
| Topological polar surface area | 52.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 93.1 |
| Boiling point | 60-61 °C/13 mmHg (lit.) |
| Density | 0.894 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.4241(lit.) |
| Flash point | 108 °F |
| Storage conditions | -20°C |
| Solubility | Chloroform (Slightly), Methanol (Sparingly) |
| Physical state | Oil |
| pKa (acidity coefficient) | 8.84±0.10(Predicted) |
| Color | Colourless |
| InChI | InChI=1S/C6H13NO2/c1-3-9-6(8)4-5(2)7/h5H,3-4,7H2,1-2H3 |
| InChIKey | HHIOOBJZIASBFF-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CC(N)C |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Warning |
| GHS hazard statements | H226-H315-H319-H335 |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 10-36/37/38 |
| Safety statements (S) | 16-26-36/37/39 |
| UN transport number | UN 3272 3/PG 3 |
| Water hazard class (WGK) | 3 |
| Hazard class | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 2922498590 |
| Storage class | 3 - Flammable liquids |
Safety & Regulations
| GHS classification | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3272 3/PG 3 |
| Customs code | 2922498590 |
| Risk statements (R) | 10-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 16-26-36/37/39 |
| Hazard class | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H226-H315-H319-H335 |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
Ethyl 3-Aminobutanoate can be used to prevent and treat influenza.