HuagongsheHuagongshe Chemistry Print Report · For research reference only
(1S)-1-phenylpropan-1-amine
(S)-1-PHENYLPROPAN-1-AMINE · (S)-(-)-1-PHENYLPROPYLAMINE · (1S)-1-phenylpropan-1-amine · (S)-A-ETHYLBENZYLAMINE · (S)-1-PHENYLPROPYLAMINE · S(-)-A-ETHYLBENZYLAMINE · (-)-1-Phenylpropylamine · (S)-(-)-ETHYLBENZYLAMINE
Identifiers & Physical Properties
| CAS No. | 3789-59-1 |
|---|---|
| Molecular formula | C9H13N |
| Average molar mass | 135.21 g/mol |
| Monoisotopic mass | 135.10479942 g/mol |
| SMILES | CC[C@H](N)c1ccccc1 |
| InChIKey | AQFLVLHRZFLDDV-VIFPVBQESA-N |
| PubChem CID | 6993773 |
| ChEMBL | CHEMBL3183068 |
| EC No. | 455-040-5 |
| DTXSID | DTXSID0049288 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 84.7 |
| Melting point | -69°C |
| Boiling point | 205°C |
| alpha | -20 º (neat) |
| Density | 0.940 g/mL at 20 °C(lit.) |
| Vapor pressure | 26.5Pa at 20℃ |
| Refractive index | n20/D 1.520 |
| Flash point | 77°C |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Solubility | soluble in Chloroform, Ethanol. Methanol |
| Physical state | clear liquid |
| pKa (acidity coefficient) | 9.34±0.10(Predicted) |
| Color | Colorless to Light yellow to Light orange |
| optical activity | [α]20/D 20±2°, neat |
| Sensitivity | Air Sensitive |
| BRN | 2412016 |
| InChI | 1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3/t9-/m0/s1 |
| InChIKey | AQFLVLHRZFLDDV-VIFPVBQESA-N |
| SMILES | CC[C@H](N)c1ccccc1 |
| CAS DataBase Reference | 3789-59-1(CAS DataBase Reference) |
| UNSPSC Code | 12352116 |
| NACRES | NA.22 |
| GHS pictogram | GHS09,GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H227-H318-H401-H411-H302-H314 |
| GHS precautionary statements | P273-P309-P280-P305+P351+P338-P310 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 22-34 |
| Safety statements (S) | 26-36/37/39-45 |
| UN transport number | UN 2735 8/PG 2 |
| Water hazard class (WGK) | 3 |
| F | 10-34 |
| Hazard class | 8Acute Tox. 4 OralSkin Corr. 1B |
| Packing group | II |
| Customs code | 2921490090 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| REACH registrations | Inactive |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH301 (98.1%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 107 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatory information | Status: Active Update: 28-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/12413 |
| Hazard Classes and Categories | Acute Tox. 3 (98.1%)Acute Tox. 4 (97.7%) |
| F | 10-34 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 2735 8/PG 2 |
| Customs code | 2921490090 |
| Risk statements (R) | 22-34 |
| Signal word | Danger |
| GHS pictogram | GHS09,GHS05,GHS07 |
| Hazard symbols | C |
| Safety statements (S) | 26-36/37/39-45 |
| Hazard class | 8Acute Tox. 4 OralSkin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H227-H318-H401-H411-H302-H314 |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| REACH registrations | Inactive |
| GHS precautionary statements | P273-P309-P280-P305+P351+P338-P310 |
Applications & Uses
Uses
For synthesis of optically active products
Uses
(S)-(-)-1-Amino-1-phenylpropane is used in the synthesis of a new series of L-Aspartyl-D-amino amide sweeteners. They contain a sweetness potency 2000 times that of a 10% sucrose solution. Also, a molecul ar determinant of substrate specificity for transaminases, owing to its chiral carbon.
Uses
(S)-()-α-Ethylbenzylamine can be used:To prepare optically active copolyacrylate polymers with sensing and chiroptical properties.As a chiral auxiliary in the preparation of enantioenriched indanone derived α-SCF2H β-keto esters.