Basic information
- CAS
1991-83-9- Standard SMILES
NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O- InChIKey
GTVVZTAFGPQSPC-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Overview
4-nitrophenylalanine is a C-nitro compound. It is functionally related to a phenylalanine.
Names & identifiers
- Preferred name
- 4-Nitrophenylalanine
- IUPAC
- 2-amino-3-(4-nitrophenyl)propanoic acid
- English name
- 4-nitrophenylalanine
- Molecular formula
- C9H10N2O4
- Molecular weight
- 0
Names & synonyms
4-Nitrophenylalanine1991-83-9CHEBI:48496DTXSID40862482RefChem:525888DTXCID408112382922-40-94-Nitro-DL-phenylalanineH-DL-Phe(4-NO2)-OH2-amino-3-(4-nitrophenyl)propanoic acidp-Nitro-dl-phenylalanineH-p-Nitro-DL-Phe-OH
Show more names
4-NITRO-DL-PHE-OHMFCD00007384DL-Phenylalanine, 4-nitro-2-Amino-3-(4-nitrophenyl)propionic aciddl-p-Nitrophenylalanine4-Nitrophenylalanine #4-Nitro-D-phenylalanine monohydrateL-Phe(4-NO2)-OH
Database identifiers
- CAS
1991-83-9、2922-40-9、949-99-5- PubChem CID
- 65089
- DTXSID
DTXSID40862482- ChEBI
CHEBI:48496- EC Number
- 220-868-6
- Nikkaji
- J2.012.431H
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers100 total
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Additional notes
DefinitionChEBI: 4-nitrophenylalanine is a C-nitro compound. It is functionally related to a phenylalanine.
Related reactions
28 records
Compound notes
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