Basic information
- CAS
3588-64-5- Standard SMILES
O=C(O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O- InChIKey
VAYRSTHMTWUHGE-UHFFFAOYSA-N- Molecular formula
- C17H13NO4
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.0844579
Names & identifiers
- Preferred name
- N-Phthaloyl-DL-phenylalanine
- IUPAC
- 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
- English name
- 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid
- Molecular formula
- C17H13NO4
- Molecular weight
- 295.29
Names & synonyms
38229-08-2N-PHTHALOYL-DL-PHENYLALANINERefChem:831020652-169-03588-64-52-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid2-(1,3-Dioxo-2,3-Dihydro-1H-Isoindol-2-Yl)-3-Phenylpropanoic AcidMFCD00023056NSC197602-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanoic acid2-(1,3-dioxoisoindol-2-yl)-3-phenyl-propanoic acid
Show more names
2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-α-(phenylmethyl)-
F1265-01232H-isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-alpha-(phenylmethyl)-2-(1,3-dioxobenzo[c]azolin-2-yl)-3-phenylpropanoic acidNSC-19760N-phthaloyl phenylalanineChemDiv2_000002CBKinase1_000078CBKinase1_012478
Database identifiers
- CAS
3588-64-5、38229-08-2- PubChem CID
- 227754
- DTXSID
DTXSID10281020- ChEMBL
CHEMBL262870- EC Number
- 652-169-0
- Nikkaji
- J653.955F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Melting point
- 182 °C · 182 °C
- Boiling point
- 498 · 498.0±38.0 °C(Predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- pka
- 3.5 · 3.50±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
13 records
Compound notes
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