(+-)-Homohistidine
Basic information
- CAS
5817-77-6- Standard SMILES
NC(CCc1cnc[nH]1)C(=O)O- InChIKey
MSECZMWQBBVGEN-UHFFFAOYSA-N- Molecular formula
- C7H11N3O2
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.0851266
Names & identifiers
- Preferred name
- (+-)-Homohistidine
- IUPAC
- 2-amino-4-(1H-imidazol-5-yl)butanoic acid
- English name
- (+/-)-Homohistidine
- Molecular formula
- C7H11N3O2
- Molecular weight
- 169.18
Names & synonyms
5817-77-6DTXSID40399985(+-)-HomohistidineRefChem:1049037DTXCID10350841(+/-)-Homohistidine2-amino-4-(1H-imidazol-5-yl)butanoic acidHomohistidineSCHEMBL951906SCHEMBL1769379CHEMBL3272401AKOS006278302
Show more names
DL-HomohistidineHistidine Impurity 48MSECZMWQBBVGEN-UHFFFAOYSA-N1H-Imidazole-5-butanoic acid, α-amino-
AKOS030242490?-Amino-1H-imidazole-5-butanoic acidFH23848DB-289600
Database identifiers
- CAS
5817-77-6- PubChem CID
- 4153393
- DTXSID
DTXSID40399985- ChEMBL
CHEMBL3272401
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 242 · 242-244°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol, Water
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
Uses(+/-)-Homohistidine is used for the study of histidine kinases as a support for solid phase synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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