N-(3-Aminopropyl)cyclohexylamine - ≥98% , CAS No.3312-60-5

CAS: 3312-60-5 Cat. No.: I137184 Molecular Weight: 156.27 EC Number: 222-001-7

GRADE & PURITY ≥98%

Synonyms

N-CYCLOHEXYLTRIMETHYLENEDIAMINE | N-CYCLOHEXYL-1,3-PROPANEDIAMINE | PDSP2_000330 | Bio1_001426 | NSC87572 | NSC-87572 | 3-Cyclohexylamino-1-propylamine | N-Cyclohexylpropylene-1,3-diamine | Cyclohexyl-1,3-propanediamine | N-(3-Aminopropyl)cyclohexylamine;

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

N-(3-Aminopropyl)cyclohexylamine is an inhibitor of spermine synthase. N-(3-Aminopropyl)cyclohexylamine is described to specifically deplete rat hepatoma cells of spermidine and spermine levels in culture. N-(3-Aminopropyl)cyclohexylamine is described to antagonize the facilitating effect of spermidine on NMDLA-induced seizures, suggesting the usefulness of N-(3-Aminopropyl)cyclohexylamine as a tool for studying neuromodulatory polyamines.
A competitive inhibitor of spermine and spermidine synthases.

Specifications

Synonyms

N-CYCLOHEXYLTRIMETHYLENEDIAMINE | N-CYCLOHEXYL-1, 3-PROPANEDIAMINE | PDSP2_000330 | Bio1_001426 | NSC87572 | NSC-87572 | 3-Cyclohexylamino-1-propylamine | N-Cyclohexylpropylene-1, 3-diamine | Cyclohexyl-1, 3-propanediamine | N-(3-Aminopropyl)cyclohexylamine;

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182498
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182498
• Canonical Smiles: C1CCC(CC1)NCCCN
• IUPAC Name: N'-cyclohexylpropane-1,3-diamine
• InChIKey: ITZPOSYADVYECJ-UHFFFAOYSA-N
• INCHI: 1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2
• Isomeric SMILES: C1CCC(CC1)NCCCN
• WGK Germany: 1
• Molecular Weight: 156.27
• Reaxy-Rn: 741954
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741954&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Dialkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
• 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: Soluble in water.
• Sensitivity: Air Sensitive
• Refractive Index: 1.48
• Flash Point(°F): 213.8 °F
• Flash Point(°C): 101°C(lit.)
• Boil Point(°C): 123 °C/20 mmHg
• Molecular Weight: 156.270 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 156.163 Da
• Monoisotopic Mass: 156.163 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 87.600
• 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: 1