9-Aminononanoic acid - ≥95% , CAS No.1120-12-3

CAS: 1120-12-3 Cat. No.: A586392 Molecular Weight: 173.25 EC Number: 692-527-3

GRADE & PURITY ≥95%

Synonyms

9-AMINONONANOICACID | A1-47191 | SCHEMBL188819 | FT-0731228 | LMFA01100010 | aminopelargonic acid | 9-Aminononanoic acid | 9-amino-nonanoic acid | AS-77837 | EN300-116443 | AKOS006272781 | 9-Aminopelargonic acid | VWPQCOZMXULHDM-UHFFFAOYSA-N | 9-Aminonooi

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

9-AMINONONANOICACID | A1-47191 | SCHEMBL188819 | FT-0731228 | LMFA01100010 | aminopelargonic acid | 9-Aminononanoic acid | 9-amino-nonanoic acid | AS-77837 | EN300-116443 | AKOS006272781 | 9-Aminopelargonic acid | VWPQCOZMXULHDM-UHFFFAOYSA-N | 9-Aminonooi

Specifications & Purity

≥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.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(CCCCN)CCCC(=O)O
• IUPAC Name: 9-aminononanoic acid
• InChIKey: VWPQCOZMXULHDM-UHFFFAOYSA-N
• INCHI: 1S/C9H19NO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8,10H2,(H,11,12)
• Isomeric SMILES: C(CCCCN)CCCC(=O)O
• Molecular Weight: 173.25
• Reaxy-Rn: 1759466
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759466&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Amino fatty acids Straight chain fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Amino fatty acid - Straight chain fatty acid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Amino fatty acids

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

• Molecular Weight: 173.250 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 173.142 Da
• Monoisotopic Mass: 173.142 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 115.000
• 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: 1