L-Histidine, methyl ester
Basic information
- CAS
1499-46-3- Standard SMILES
COC(=O)[C@@H](N)Cc1cnc[nH]1- InChIKey
BXRMEWOQUXOLDH-LURJTMIESA-N- Molecular formula
- C7H11N3O2
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.08512659
Overview
L-Histidine methyl ester is a histidine derivative.
Names & identifiers
- Preferred name
- L-Histidine, methyl ester
- IUPAC
- methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
- English name
- methyl L-histidinate
- Molecular formula
- C7H11N3O2
- Molecular weight
- 169.18
Names & synonyms
Histidine methyl ester1499-46-3L-Histidine, methyl ester9IHZ1723UEmethyl histidinateCHEBI:70961RefChem:924413methyl 2-amino-3-(1H-imidazol-5-yl)propanoate;methyl histidinate216-109-3methyl 2-amino-3-(1H-imidazol-5-yl)propanoateMethyl L-histidinateL-HISTIDINE METHYL ESTER
Show more names
L-Histidine methyl3-(5-Imidazolyl)-L-alanine methyl ester(S)-2-Amino-3-(3H-imidazole-4-yl)propanoic acid methyl ester
(S)-Methyl 2-amino-3-(1H-imidazol-4-yl)propanoatemethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoateMETHYL (2S)-2-AMINO-3-(1H-IMIDAZOL-4-YL)PROPANOATEEINECS 216-109-3MFCD08669785CHEMBL54664(S)-Methyl2-amino-3-(1H-imidazol-4-yl)propanoatehistidine methyl
Database identifiers
- CAS
1499-46-3- PubChem CID
- 92893
- DTXSID
DTXSID90933797- ChEMBL
CHEMBL54664- ChEBI
CHEBI:169996- UNII
- 9IHZ1723UE
- EC Number
- 216-109-3
- Nikkaji
- J26.590J
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 247 · 247-250 °C (decomp)
- Boiling point
- 368.2 · 368.2±27.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- pka
- 1 · pK1:5.01(+2);pK2:7.23(+1)_x0003_ (25°C,μ=0.1)
- Appearance
- White to off-white Solid
- FDA UNII
- 9 IHZ1723UE · 9IHZ1723UE
Chemistry & industry
Additional notes
DefinitionChEBI: L-Histidine methyl ester is a histidine derivative.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…