Phenylalanine (data page)

The complete data for Phenylalanine ()

General information

Chemical formula: C₉H₁₁N O₂
Molar mass: 165.19 g·mol⁻¹
Systematic name:
2-Amino-3-phenyl-propanoic acid
Abbreviations: F, Phe
Synonyms:
alpha-Amino-beta-phenylpropionic acid
(2R)-2-amino-3- phenylpropanoic acid
(2S)-2-amino-3-phenylpropanoic acid

Database data

SMILES: C1=CC=C(C=C1)CC(C(=O)O)N
InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h11H

ATC: N/A

CAS: 673-06-3 (D), 63-91-2(L), 150-30-1 (DL)

DrugBank: N/A

EINECS:
211-603-5 ^a, 200-568-1 (D), 205-756-7 (L)

PubChem:
994 ^a, 71567 (D) ^a 6140 (L) ^a

Physical properties

Structure

Crystal data

Spectral data

UV-Vis

IR

NMR

MS
- Masses of main fragments:
GMD MS Spectrum

Phase behavior

Solid properties

ρ_solid: 1.29 g.cm⁻³
T_m: 283 °C

Liquid properties

Gas properties

Hazard properties

MSDS

N/A

Main hazards:

- N/A

NFPA 704

Flash point

- N/A

RTECS number:
N/A

Chemical properties

XLogP: -1.496

pI: 5.5

pK_a: 2.20, 9.09

Tautomers:

Hydrogen bond: donor - 2; acceptor - 3

Pharmacological properties

This box:

Except where noted otherwise, data relate to Standard temperature and pressure.
Reliability of data general note.

References

^a EINECS number 200-568-1 (phenylalanine)
^a CID 994 from PubChem (phenylalanine)
^a CID 71567 from PubChem (D-phenylalanine)
^a CID 6140 from PubChem (L-phenylalanine)