Phenylalanine (data page)

The complete data for Phenylalanine

General information

Chemical formula: C9H11NO2 
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
Phase behavior
 Solid properties
ρsolid: 1.29 g.cm-3
Tm: 283 °C
 Liquid properties
Gas properties
Hazard properties
MSDS N/A Main hazards:
- N/A
 NFPA 704
 Flash point
- N/A
 R/S statement
R: N/A
S: N/A
 RTECS number:
N/A
Chemical properties
XLogP: -1.496 pI: 5.5 pKa: 2.20, 9.09 Tautomers: Hydrogen bond: donor - 2;  acceptor - 3
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References

  1. ^a EINECS number 200-568-1 (phenylalanine)
  2. ^a CID 994 from PubChem (phenylalanine)
  3. ^a CID 71567 from PubChem (D-phenylalanine)
  4. ^a CID 6140 from PubChem (L-phenylalanine)
By properties
Polar, uncharged
Positive charge (pKa)
Lysine (≈10.8) · Arginine (≈12.5) · Histidine (≈6.1)
Negative charge (pKa)
Aspartic acid (≈3.9) · Glutamic acid (≈4.1) · Cysteine (≈8.3) · Tyrosine (≈10.1)
General
Other classifications
biochemical families: prot · nucl · carb (glpr, alco, glys) · lipd (fata/i, phld, strd, gllp, eico) · amac/i · ncbs/i · ttpy/i