cis-2-Amino-1-cyclooctanecarboxylic acid hydrochloride - ≥95% , CAS No.350015-76-8

CAS: 350015-76-8 Cat. No.: C464003 Molecular Weight: 207.7 PubChem CID: 17039465

GRADE & PURITY ≥95%

Synonyms

rac-(1R,2S)-2-aminocyclooctane-1-carboxylic acid hydrochloride | AKOS030241952 | (1S,2R)-2-Amino-cyclooctane carboxylic acid hydrochloride | EN300-6489826 | MFCD08669706 | (1S,2R)-2-aminocyclooctane-1-carboxylic acid;hydrochloride | (+/-)-cis-2-Aminocyclo

Storage

Room temperature

Specifications

Synonyms

rac-(1R, 2S)-2-aminocyclooctane-1-carboxylic acid hydrochloride | AKOS030241952 | (1S, 2R)-2-Amino-cyclooctane carboxylic acid hydrochloride | EN300-6489826 | MFCD08669706 | (1S, 2R)-2-aminocyclooctane-1-carboxylic acid;hydrochloride | (+/-)-cis-2-Aminocyclo

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CCCC(C(CC1)C(=O)O)N.Cl
• IUPAC Name: (1S,2R)-2-aminocyclooctane-1-carboxylic acid;hydrochloride
• InChIKey: CGMSVJGKMJLCPS-KZYPOYLOSA-N
• INCHI: 1S/C9H17NO2.ClH/c10-8-6-4-2-1-3-5-7(8)9(11)12;/h7-8H,1-6,10H2,(H,11,12);1H/t7-,8+;/m0./s1
• Isomeric SMILES: C1CCC[C@H]([C@H](CC1)C(=O)O)N.Cl
• WGK Germany: 3
• PubChem CID: 17039465
• Molecular Weight: 207.7

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: Branched fatty acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain.
• 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

• Molecular Weight: 207.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.103 Da
• Monoisotopic Mass: 207.103 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 159.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

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