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| CAS No.: | 59749-29-0 |
|---|---|
| Name: | 1-(4-fluorobenzyl)-5-oxo-L-proline - N-benzylpropan-2-amine (1:1) |
| Molecular Structure: | |
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| Formula: | C12H12FNO3•C10H15N |
| Molecular Weight: | 386.51 |
| Density: | g/cm3 |
| Boiling Point: | 476.2°Cat760mmHg |
| Flash Point: | 241.8°C |
| Safety: | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and F−. |
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Chemistry
Product Name: L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, compd. with N-(1-methylethyl)benzenemethanamine (1:1)
CAS Registry Number: 59749-29-0
IUPAC Name: N-benzylpropan-2-amine ; (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
Molecular Weight: 386.459783 [g/mol]
Molecular Formula: C22H27FN2O3
H-Bond Donor: 2
H-Bond Acceptor: 5
Flash Point: 241.8 °C
Enthalpy of Vaporization: 77.93 kJ/mol
Boiling Point: 476.2 °C at 760 mmHg
Vapour Pressure: 7.12E-10 mmHg at 25°C
Following is the molecular structure of L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, compd. with N-(1-methylethyl)benzenemethanamine (1:1) (CAS NO.59749-29-0) is:
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | oral | > 1200mg/kg (1200mg/kg) | French Demande Patent Document. Vol. #2273533, |
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and F−.
Specification
L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, compd. with N-(1-methylethyl)benzenemethanamine (1:1) , its cas register number is 59749-29-0. It also can be called N-(p-Fluorobenzyl)pyroglutamate de N'-isopropylbenzylamine ; N-(p-Fluorobenzyl)pyroglutamate de N'-isopropylbenzylamine [French] .