Indoleacetyl phenylalanine
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Basic information
- CAS
57105-50-7- Standard SMILES
O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
BUGQHORRADGONS-KRWDZBQOSA-N- Molecular formula
- C19H18N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.13174244
Overview
Indole-3-acetyl-L-phenylalanine is a phenylalanine derivative.
Names & identifiers
- Preferred name
- Indoleacetyl phenylalanine
- IUPAC
- (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic acid
- English name
- N-(3-Indolylacetyl)-L-phenylalanine
- Molecular formula
- C19H18N2O3
- Molecular weight
- 322.36
Names & synonyms
57105-50-7N-(3-Indolylacetyl)-L-phenylalanineIndoleacetyl phenylalanineIndole-3-acetylphenylalanineIndol acetyl phenylalanineIndol-3 acetyl phenylalanineL-phenylalanine, N-(1H-indol-3-ylacetyl)-7DQ9F5L55YL-Phenylalanine, N-(2-(1H-indol-3-yl)acetyl)-DTXSID30205728RefChem:1087369DTXCID60128219
Show more names
Indolylacetyl PhenylalanineN-3-INDOLEACETAL-L-PHENYLALANINEN-(3-INDOLEACETYL)-L-PHENYLALANINEINDOLE-3-ACETYL-L-PHENYLALANINE(IAPhe)
(S)-2-(2-(1H-indol-3-yl)acetamido)-3-phenylpropanoic acidIndole-3-acetyl-L-phenylalanineIAA-L-PheMFCD00075336(2-(1H-indol-3-yl)acetyl)-L-phenylalanine(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic acidUNII-7DQ9F5L55YN-3-INDOLYACETYL-L-PHENYLALANINE
Database identifiers
- CAS
57105-50-7- PubChem CID
- 644227
- DTXSID
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 154 · 154-156 °C(lit.)
- alpha
- 36 · 36 º (c=3, EtOH)
- Boiling point
- 658.875 · 658.875±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.623 · 3.623±0.10(predicted)
- form
- Solid
- color
- White to off-white
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- LogP
- 1.639 · 1.639 (est)
- CAS DataBase Reference
- 57105 · 57105-50-7(CAS DataBase Reference)
- FDA UNII
- 7 DQ9F5L55Y · 7DQ9F5L55Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesIndole-3-acetyl-L-phenylalanine is an indole-3-acetyl-amino acid conjugate involved in regulatory mechanisms for the control of auxin activity during physiological and pathophysiological responses.
Additional notes
DefinitionChEBI: Indole-3-acetyl-L-phenylalanine is a phenylalanine derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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