Molecular properties
- Formula
- C9H11NO2
- Molar mass
- 165.19 g·mol−1
- Exact mass
- 165.0790 Da
- 5
- 2
- 3
- 63.30 Ų
- -1.5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 63-91-2
- PubChem CID
- 6140
Molecule record
phenylalanine
C9H11NO2
165.19 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Alkene
Amine
Aromatic ring
Carboxylic acid
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -1.5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (2S)-2-amino-3-phenylpropanoic acid
- (S)-(-)-Phenylalanine
- (S)-2-Amino-3-phenylpropanoic acid
- (S)-2-Amino-3-phenylpropionic acid
- (S)-Phenylalanine
- (S)-alpha-Amino-benzenepropanoic acid
- (S)-alpha-Amino-beta-phenylpropionic acid
- (S)-alpha-Aminohydrocinnamic acid
Show all 22 synonyms
- 3-Phenyl-L-alanine
- 3-Phenylalanine
- 63-91-2
- Alanine, 3-phenyl-
- Alanine, phenyl-, L-
- Antibiotic FN 1636
- FEMA No. 3585
- L-Alanine, 3-phenyl-
- L-Alanine, phenyl-
- L-phenylalanine
- Phenylalanine, L-
- Phenylalaninum
- beta-Phenyl-L-alanine
- fenilalanina
Structure identifiers
- Canonical SMILES
- C1=CC=C(C=C1)C[C@@H](C(=O)O)N
- Isomeric SMILES
- C1=CC=C(C=C1)C[C@@H](C(=O)O)N
- InChI
- InChI=1S/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
- InChIKey
- COLNVLDHVKWLRT-QMMMGPOBSA-N
- PubChem CID
- 6140
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for phenylalanine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for phenylalanine; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.