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
- Masses of main fragments:
GMD MS Spectrum
Phase behavior
Solid properties
ρsolid: 1.29 g.cm−3
Tm: 283 °C
Liquid properties
Gas properties
Hazard properties
MSDS N/AMain hazards:
- N/A
NFPA 704
Flammability (red): no hazard codeHealth (blue): no hazard codeReactivity (yellow): no hazard codeSpecial hazards (white): no code
Flash point
- N/A
 R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: -1.496pI: 5.5pKa: 2.20, 9.09Tautomers: 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)
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