Molecular properties
- Formula
- C6H9N3O2
- Molar mass
- 155.15 g·mol−1
- Exact mass
- 155.0695 Da
- 4
- 3
- 4
- 92.00 Ų
- -3.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 71-00-1
- PubChem CID
- 6274
Molecule record
histidine
C6H9N3O2
155.15 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
Amine
Aromatic ring
Carboxylic acid
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -3.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid
- (S)-2-Amino-3-(4-imidazolyl)propionsaeure
- (S)-4-(2-Amino-2-carboxyethyl)imidazole
- (S)-a-Amino-1H-imidazole-4-propanoic acid
- (S)-alpha-Amino-1H-imidazole-4-propionic acid
- (S)-alpha-amino-1H-imidazole-4-propanoic acid
- 1H-Imidazole-4-propanoic acid, alpha-amino-, (S)-
- 4-(2-Amino-2-carboxyethyl)imidazole
Show all 23 synonyms
- 4QD397987E
- 71-00-1
- DTXSID9023126
- FEMA No. 3694
- HISTIDINE, L-
- Histidinum
- Istidina
- L-(-)-Histidine
- L-His
- L-Histidin
- L-histidine
- NSC-137773
- alpha-Amino-4(or 5)-imidazolepropionic acid
- glyoxaline-5-alanine
- histidina
Structure identifiers
- Canonical SMILES
- C1=C(NC=N1)C[C@@H](C(=O)O)N
- Isomeric SMILES
- C1=C(NC=N1)C[C@@H](C(=O)O)N
- InChI
- InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
- InChIKey
- HNDVDQJCIGZPNO-YFKPBYRVSA-N
- PubChem CID
- 6274
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)
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 histidine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for histidine; 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.