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Showing Compound Arginine hydrochloride (FDB011914)

Record Information
Version1.0
Creation date2010-04-08 22:09:53 UTC
Update date2025-11-18 23:32:05 UTC
Primary IDFDB011914
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameArginine hydrochloride
DescriptionL-Arginine hydrochloride, also known as arginine or R-gene, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Based on a literature review a significant number of articles have been published on L-Arginine hydrochloride.
CAS Number1119-34-2
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
R-GeneKegg
ArginineMeSH
Arginine hydrochlorideMeSH
Arginine, L isomerMeSH
Arginine, L-isomerMeSH
DL Arginine acetate, monohydrateMeSH
DL-Arginine acetate, monohydrateMeSH
Hydrochloride, arginineMeSH
L ArginineMeSH
L-ArginineMeSH
L-Isomer arginineMeSH
Monohydrate DL-arginine acetateMeSH
R-Gene 10KEGG
L-Arginine hydrochlorideKEGG
Arginine hydrochloride, USANdb_source
Arginine monochloridebiospider
Arginine monohydrochloridebiospider
Arginine monohydrochloride, L-(+)-biospider
Arginine, hydrochloride, L-biospider
Arginine, monohydrochloride, L-biospider
L-Arginine HCLbiospider
L-Arginine monohydrochloridebiospider
Predicted Properties
PropertyValueSource
logP-3.2ChemAxon
pKa (Strongest Acidic)2.41ChemAxon
pKa (Strongest Basic)12.41ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area125.22 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity53.92 m³·mol⁻¹ChemAxon
Polarizability17.95 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC6H15ClN4O2
IUPAC name(2S)-2-amino-5-carbamimidamidopentanoic acid hydrochloride
InChI IdentifierInChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1
InChI KeyKWTQSFXGGICVPE-WCCKRBBISA-N
Isomeric SMILESCl.N[C@@H](CCCNC(N)=N)C(O)=O
Average Molecular Weight210.662
Monoisotopic Molecular Weight210.088353451
Classification
Description Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Fatty acid
  • Guanidine
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Carboximidamide
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Amine
  • Hydrochloride
  • Hydrocarbon derivative
  • Organic oxide
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointMp 222 dec. (235°)DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]20D +12.1 (H2O)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0090000000-ba136292022554d195592016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0090000000-ba136292022554d195592016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0090000000-ba136292022554d195592016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0090000000-eeb49a5efca667bd03172016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0090000000-eeb49a5efca667bd03172016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0090000000-eeb49a5efca667bd03172016-08-03View Spectrum
NMRNot Available
ChemSpider ID59634
ChEMBL IDCHEMBL1200381
KEGG Compound IDNot Available
Pubchem Compound ID85880
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDCHQ98-B:HBS67-O
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1253361
SuperScent IDNot Available
Wikipedia IDArginine
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference