Spermine dihydrate - UltraBio™, ≥99.5%(GC) , CAS No.403982-64-9

CAS: 403982-64-9 Cat. No.: S755559 Molecular Weight: 238.37 Beilstein Registry Number: 7526933 EC Number: 687-801-4

GRADE & PURITY UltraBio™, ≥99.5%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

UltraBio™, ≥99.5%(GC)

Biochemical and Physiological Mechanisms

Mixed NMDA agonist/antagonist at the polyamine site. Neuroprotective effects have been observed at high concentrations (1 mM), while neurotoxicity is observed at lower concentrations. It enhances agonist effectiveness at the strychnine-insensitive glycine

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

UltraBio™

Purity

≥99.5%(GC)

Names and Identifiers

• PH: 12.0-13.5 (25 °C, 1 M in H 2 O)
• Canonical Smiles: C(CCNCCCN)CNCCCN.O.O
• IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydrate
• InChIKey: MTNRSMVAYLLBAV-UHFFFAOYSA-N
• INCHI: 1S/C10H26N4.2H2O/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;/h13-14H,1-12H2;2*1H2
• Isomeric SMILES: C(CCNCCCN)CNCCCN.O.O
• WGK Germany: 3
• Molecular Weight: 238.37
• Beilstein: 7526933

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• 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

• Solubility: H 2 O: 1 M at 20 °C, clear, colorless
• Molecular Weight: 238.370 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 238.237 Da
• Monoisotopic Mass: 238.237 Da
• Topological Polar Surface Area: 78.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 86.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 3

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