N-n-Octyl-D-glucamine - ≥98% , CAS No.23323-37-7

CAS: 23323-37-7 Cat. No.: O124552 Molecular Weight: 293.4 EC Number: 245-582-9

GRADE & PURITY ≥98%

Synonyms

D-Glucitol, 1-deoxy-1-(octylamino)- | 1-Deoxy-1-(octylamino)-D-glucitol | N-n-Octyl-D-glucamine | N-Octyl-1-amino-1-deoxy-D-glucitol | AKOS015894276 | N-Octyl-D-glucamine | SMR004701784 | N-Octylglucamine | DTXSID70177874 | EINECS 245-582-9 | SCHEMBL59611

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

D-Glucitol, 1-deoxy-1-(octylamino)- | 1-Deoxy-1-(octylamino)-D-glucitol | N-n-Octyl-D-glucamine | N-Octyl-1-amino-1-deoxy-D-glucitol | AKOS015894276 | N-Octyl-D-glucamine | SMR004701784 | N-Octylglucamine | DTXSID70177874 | EINECS 245-582-9 | SCHEMBL59611

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186591
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186591
• Canonical Smiles: CCCCCCCCNCC(C(C(C(CO)O)O)O)O
• IUPAC Name: (2R,3R,4R,5S)-6-(octylamino)hexane-1,2,3,4,5-pentol
• InChIKey: ZRRNJJURLBXWLL-REWJHTLYSA-N
• INCHI: 1S/C14H31NO5/c1-2-3-4-5-6-7-8-15-9-11(17)13(19)14(20)12(18)10-16/h11-20H,2-10H2,1H3/t11-,12+,13+,14+/m0/s1
• Isomeric SMILES: CCCCCCCCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• WGK Germany: 3
• Molecular Weight: 293.4
• Reaxy-Rn: 11521335
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11521335&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: 1,3-aminoalcohols Secondary alcohols 1,2-aminoalcohols Polyols Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexose monosaccharide - 1,3-aminoalcohol - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Polyol - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organonitrogen compound - Amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Specific Rotation[α]: -16.0 to -22.0 °(C=0.5, Methanol)
• Melt Point(°C): 121-124°C
• Molecular Weight: 293.400 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 293.22 Da
• Monoisotopic Mass: 293.22 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 218.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Jing Yang, Xiao Liu, ChongYun Sun, Qiang Chen, PingXia Guo, Kai Feng, Meirong Cai, Feng Zhou.  (2025)  Biodegradable Glucosamine-Amino Acid-Based Ionic Liquids as Efficient Water-Based Lubricant Additives for Green Tribological Chemistry.  Molecular Systems Design & Engineering,      [PMID:] [10.1039/D5ME00036J]