N-(3-((4-Aminobutyl)amino)propyl)acetamide dihydrochloride - Moligand™,≥95% , CAS No.34450-16-3

CAS: 34450-16-3 Cat. No.: N588802 Molecular Weight: 260.20 PubChem CID: 214848

GRADE & PURITY Moligand™, ≥95%

Synonyms

N-(3-((4-Aminobutyl)amino)propyl)acetamide 2HCl | Acetamide, N-(3-((4-aminobutyl)amino)propyl)-, dihydrochloride | Acetamide, N-[3-[(4-aminobutyl)amino]propyl]-, dihydrochloride | MFCD00058261 | N-(3-(4-aminobutylamino)propyl)acetamide dihydrochloride | A

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

N1-Acetylspermidine hydrochloride is an acetyl derivative of polyamines. N1-Acetylspermidine hydrochloride is a substrate for polyamine oxidase (PAO). N1-Acetylspermidine hydrochloride selectively increases the level of N1- acetylspermidine in human colorectal cancer. N1-Acetylspermidine hydrochloride has a certain cutting efficiency at purine-free sites of DNA

Specifications

Synonyms

N-(3-((4-Aminobutyl)amino)propyl)acetamide 2HCl | Acetamide, N-(3-((4-aminobutyl)amino)propyl)-, dihydrochloride | Acetamide, N-[3-[(4-aminobutyl)amino]propyl]-, dihydrochloride | MFCD00058261 | N-(3-(4-aminobutylamino)propyl)acetamide dihydrochloride | A

Specifications & Purity

Moligand™, ≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(=O)NCCCNCCCCN.Cl.Cl
• IUPAC Name: N-[3-(4-aminobutylamino)propyl]acetamide;dihydrochloride
• InChIKey: IVLOLMVLUOGVCZ-UHFFFAOYSA-N
• INCHI: 1S/C9H21N3O.2ClH/c1-9(13)12-8-4-7-11-6-3-2-5-10;;/h11H,2-8,10H2,1H3,(H,12,13);2*1H
• Isomeric SMILES: CC(=O)NCCCNCCCCN.Cl.Cl
• PubChem CID: 214848
• Molecular Weight: 260.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Acetamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Acetamides
• Alternative Parents: Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetamide - Secondary carboxylic acid amide - Amino acid or derivatives - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl 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: Methanol (Slightly, Heated), Water (Slightly)
• Sensitivity: Moisture Sensitive
• Melt Point(°C): 184-188℃
• Molecular Weight: 260.200 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 259.122 Da
• Monoisotopic Mass: 259.122 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 128.000
• 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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