Basic information
- CAS
4998-57-6- Standard SMILES
NC(Cc1cnc[nH]1)C(=O)O- InChIKey
HNDVDQJCIGZPNO-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947653
Overview
Histidine is an alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. It has a role as a metabolite. It is a member of imidazoles, a polar amino acid, an alpha-amino acid and an aromatic amino acid. It contains a 1H-imidazol-4-ylmethyl group. It is a conjugate base of a histidinium(1+). It is a conjugate acid of a histidinate(1-).
Names & identifiers
- Preferred name
- DL-histidine
- IUPAC
- 2-amino-3-(1H-imidazol-5-yl)propanoic acid
- English name
- DL-Histidine
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
DL-HISTIDINE4998-57-62-amino-3-(1H-imidazol-5-yl)propanoic acidHistidine, DL-QU6SDF3Q03DL-2-Amino-3-(4-imidazolyl)propionsaeureDTXSID009017852-azaniumyl-3-(1H-imidazol-5-yl)propanoateRefChem:1083902DTXCID40196658225-660-92-amino-3-(1H-imidazol-4-yl)propanoic acid
Show more names
HISTIDINEfree baseDL-HISDL-His-OHDL-HistdineDL-HistidinDL-Histidine 0
H-DL-His-OHL-Histidine BaseHistidine #UNII-QU6SDF3Q0326062-48-6MFCD00005208184709-11-3(+/-)-HISTIDINE
Database identifiers
- CAS
4998-57-6、71-00-1- PubChem CID
- 773
- DTXSID
DTXSID00901785- ChEBI
CHEBI:27570- UNII
- QU6SDF3Q03
- EC Number
- 225-660-9
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals
Physical DescriptionSolid; [Merck Index] White crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 273 °C · 273 °C (dec.)(lit.)
- Boiling point
- 278.95 °C · 278.95°C (rough estimate)
- Density
- 1.3092 · 1.3092 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 0.5 M · 0.5 M HCl: soluble
- form
- powder to crystal
- pka
- 1.8 · 1.8(at 25℃)
- color
- White to Almost white
- Merck
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: DL-Histidine
Other Safety InformationIMAP assessments - DL-Histidine: Environment tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Histidine.
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25-36/37-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Uses
Histidine is an essential amino acid; [Merck Index]
Use (kg; approx.) in Germany (2009): >10000
Household ProductsInformation on 165 consumer products that contain Histidine in the following categories is provided:
General Manufacturing InformationHistidine: ACTIVE
Applications
UsesDL-Histidine has been used to study the fouling behaviour of polyethersulfone ultrafiltration membranes made with different PVP (polyvinylpyrrolidone).
Useshistidine is a skin-conditioning amino acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers101 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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