HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,2'-((Phenylmethyl)imino)bisethanol
BUTTPARK 145\50-27 · benzyldiethanolamine · N-BENZYLDIETHANOLAMINE · 2,2’-(benzylimino)di-ethano · N-Benzyldiethanolamine 95+% · 2,2'-(Benzylimino)diethanol · benzylbis(2-hydroxyethyl)amine · 2,2'-(Benzylimino)bis(ethanol)
Identifiers & Physical Properties
| CAS No. | 101-32-6 |
|---|---|
| Molecular formula | C11H17NO2 |
| Average molar mass | 195.26 g/mol |
| Monoisotopic mass | 195.12592878 g/mol |
| SMILES | OCCN(CCO)Cc1ccccc1 |
| InChIKey | MIZIOHLLYXVEHJ-UHFFFAOYSA-N |
| PubChem CID | 7553 |
| ChEMBL | CHEMBL425114 |
| EC No. | 202-934-6 |
| DTXSID | DTXSID50143618 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 43.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 129 |
| Melting point | 196.5 °C(Solv: benzene (71-43-2)) |
| Boiling point | 226°C(lit.) |
| Density | 1.09 |
| Refractive index | 1.5370 to 1.5410 |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | clear liquid |
| pKa (acidity coefficient) | 14.39±0.10(Predicted) |
| Color | Colorless to Yellow to Orange |
| InChI | InChI=1S/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2 |
| InChIKey | MIZIOHLLYXVEHJ-UHFFFAOYSA-N |
| SMILES | N(CCO)(CCO)CC1=CC=CC=C1 |
| CAS DataBase Reference | 101-32-6(CAS DataBase Reference) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
| Hazard symbols | Xi |
| RTECS number | KJ7538000 |
| Hazard class | IRRITANT |
| Customs code | 2922190090 |
Safety & Regulations
| GHS classification | DangerH302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.1%) |
| RTECS number | KJ7538000 |
| Customs code | 2922190090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Hazard class | IRRITANT |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
Applications & Uses
Uses
2,2'-(Benzylazanediyl)diethanol is a useful research chemical.