HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Boc-2-chloroethylamine
tert-butyl 2-chloroethylcarbamate · tert-Butyl N-(2-chloroethyl)carbamate · Lobitridol Impurity 7 · N-Boc-2-Chloroethylamine · 1-Boc-2-chloroethylamine · 2-(Boc-amino)ethyl Chloride · N-Boc-2-chloroethylamine, 97% · N-BOC-2-chloroethylamine - [B6380]
Identifiers & Physical Properties
| CAS No. | 71999-74-1 |
|---|---|
| Molecular formula | C7H14ClNO2 |
| Average molar mass | 179.64 g/mol |
| Monoisotopic mass | 179.07130637 g/mol |
| SMILES | CC(C)(C)OC(=O)NCCCl |
| InChIKey | VACLTXTYDFLHJW-UHFFFAOYSA-N |
| PubChem CID | 3795708 |
| DTXSID | DTXSID00396531 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 38.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 131 |
| Melting point | Oil° |
| Boiling point | 75℃ (8 Torr) |
| Density | 1.070±0.06 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,Store in freezer, under -20°C |
| Solubility | Chloroform (Sparingly), Methanol (Slightly) |
| Physical state | Colourless to Yellow Oil to Off-White to Yellow Semi-Solid |
| pKa (acidity coefficient) | 11.93±0.46(Predicted) |
| Appearance | White to off-white Solid |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302+H312+H332-H314 |
| GHS precautionary statements | P260-P270-P271-P264-P280-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405-P501 |
| Hazard class | IRRITANT |
| Customs code | 2922498590 |
Safety & Regulations
| Customs code | 2922498590 |
|---|---|
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard class | IRRITANT |
| GHS hazard statements | H302+H312+H332-H314 |
| GHS precautionary statements | P260-P270-P271-P264-P280-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405-P501 |
Applications & Uses
Uses
tert-Butyl (2-chloroethyl)carbamate is used in the preparation of neurotransmitter receptor agonists with antagonist potential as well as anti-cancer agents.