HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Pyrrolidineethanamine
1-pyrrolidineethanamine · N-(2-AMINOETHYL)PYRROLIDINE · MFCD11053712 · RARECHEM AL BW 0375 · TIMTEC-BB SBB004304 · Pyrrolidinoethylamine · Pyrrolidinoethanamine · 2-Pyrrolidinoethylamine
Identifiers & Physical Properties
| CAS No. | 7154-73-6 |
|---|---|
| Molecular formula | C6H14N2 |
| Average molar mass | 114.19 g/mol |
| Monoisotopic mass | 114.11569846 g/mol |
| SMILES | NCCN1CCCC1 |
| InChIKey | WRXNJTBODVGDRY-UHFFFAOYSA-N |
| PubChem CID | 1344 |
| EC No. | 230-509-5 |
| DTXSID | DTXSID1064580 |
Chemical & Physical Properties
| XLogP | 0.1 |
|---|---|
| Topological polar surface area | 29.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 57 |
| Melting point | 219 °C (decomp) |
| Boiling point | 66-70 °C/23 mmHg (lit.) |
| Density | 0.901 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.468(lit.) |
| Flash point | 118 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (acidity coefficient) | pK1: 6.56(+2)pK2: 9.74(+1)(30°C) |
| Physical state | Liquid |
| Specific gravity | 0.901 |
| Color | Clear colorless to light brown |
| Sensitivity | Air Sensitive |
| BRN | 102978 |
| InChI | 1S/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2 |
| InChIKey | WRXNJTBODVGDRY-UHFFFAOYSA-N |
| SMILES | NCCN1CCCC1 |
| CAS DataBase Reference | 7154-73-6(CAS DataBase Reference) |
| FDA UNII | 076KT5HU06 |
| NIST Chemistry Reference | 1-Pyrrolidineethanamine(7154-73-6) |
| EPA Substance Registry System | 1-Pyrrolidineethanamine (7154-73-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS05 |
| Signal word | Danger |
| GHS hazard statements | H226-H314 |
| GHS precautionary statements | P210-P233-P240-P280-P303+P361+P353-P305+P351+P338 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 10-34 |
| Safety statements (S) | 16-26-27-36/37/39-45 |
| UN transport number | UN 2734 8/PG 2 |
| Water hazard class (WGK) | 3 |
| F | 9-23 |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Flam. Liq. 3Skin Corr. 1B |
| Packing group | III |
| Customs code | 29339900 |
| Storage class | 3 - Flammable liquids |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| F | 9-23 |
|---|---|
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 2734 8/PG 2 |
| Customs code | 29339900 |
| Risk statements (R) | 10-34 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 16-26-27-36/37/39-45 |
| Hazard class | 3Flam. Liq. 3Skin Corr. 1B |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| GHS hazard statements | H226-H314 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P210-P233-P240-P280-P303+P361+P353-P305+P351+P338 |
Applications & Uses
Uses
1-(2-Aminoethyl)pyrrolidine may be used in the preparation of one-dimensional coordination polymer of nickel(II), [(μN,S-NCS)2{Ni(ampy)}]n (ampy=1-(2-aminoethyl)pyrrolidine).
General Description
1-(2-Aminoethyl)pyrrolidine is a heterocyclic building block. Nickel(II) salts of 1-(2-aminoethyl)pyrrolidine have been synthesized and thermal studies have been reported. The isomeric complexes trans-[NiL2(NCS)2] (violet) and cis-[NiL2(NCS)2] (blue) [L=1-(2-aminoethyl)pyrrolidine] have been synthesized and their X-ray crystal structure have been studied.