4-Nitro-L-phenylalanine monohydrate

Base Information

• Chemical Name: 4-Nitro-L-phenylalanine monohydrate
• CAS No.: 207591-86-4
• Molecular Formula: C9H12N2O5
• Molecular Weight: 228.20
• Hs Code.: 29224999
• European Community (EC) Number: 681-542-0
• DSSTox Substance ID: DTXSID50370482
• Mol file: 207591-86-4.mol

Synonyms:207591-86-4;4-Nitro-L-phenylalanine monohydrate;4-Nitro-L-Phenylalanine Hydrate;(S)-2-Amino-3-(4-nitrophenyl)propanoic acid hydrate;4-NITRO-L-PHENYLALANIN HYDRATE;H-Phe(4-NO2)-OH.H2O;(2S)-2-amino-3-(4-nitrophenyl)propanoic Acid Hydrate;L-Phenylalanine, 4-nitro-, monohydrate;(2S)-2-amino-3-(4-nitrophenyl)propanoic acid;hydrate;4-Nitro-L-phenylalnine;MFCD00150543;(2S)-2-amino-3-(4-nitrophenyl)propanoic acid,hydrate;4-Nitro-phenylalanine hydrate;4-nitrophenylalanine monohydrate;SCHEMBL4754409;p-Nitro-L-phenylalanine Hydrate;HMS560H16;DTXSID50370482;AKOS007930332;AKOS015889630;AC-3474;AC-9938;CS-W010409;GS-5909;HY-W009693;PD196701;4-Nitro-L-phenylalanine monohydrate, 98%;AM20060543;L-Phenylalanine, 4-nitro-, hydrate (1:1);H10156;M03190;A814860;J-515877;2-amino-3-(4-nitrophenyl)propanoic acid hydrate;4-Nitro-L-phenylalanine hydrate

Chemical Property of 4-Nitro-L-phenylalanine monohydrate

Chemical Property:

• Appearance/Colour: off-white to light yellow powder
• Vapor Pressure: 1.22E-10mmHg at 25°C
• Melting Point: 245-251 °C (dec.)(lit.)
• Boiling Point: 414.1 °C at 760 mmHg
• Flash Point: 204.2 °C
• PSA: 118.37000
• Density: 1.408 g/cm3
• LogP: 1.70840
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 228.07462149
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

p-Nitro-L-phenylalanine, Hydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-].O
• Isomeric SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)[N+](=O)[O-].O
• Uses: 4-Nitro-L-phenylalanine monohydrate is used in the synthesis of Zolmitriptan. p-Nitro-L-phenylalanine is used in the synthesis of Zolmitriptan (Z639000).