4-Aminocyclohexanecarboxylic Acid - ≥95%, mixture of isomers , CAS No.1776-53-0

CAS: 1776-53-0 Cat. No.: A124585 Formula: C₇H₁₃NO₂ Peso molecolare: 143.19 Beilstein Registry Number: 14(4)981 Numero EC: 605-807-7

GRADE & PURITY ≥95%, mixture of isomers

Synonyms

4-Aminocyclohexanecarboxylic acid | 4-Amino-cyclohexanecarboxylic acid | 4-aminocyclohexane-carboxylic acid | SY029216 | Cefapirin (BAN) | J-525018 | NoName_367 | trans 4-amino-cyclohexanecarboxylic acid | cis-4-Aminocyclohexanecarboxylic acid | cis-4-ami

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

4-Aminocyclohexanecarboxylic acid | 4-Amino-cyclohexanecarboxylic acid | 4-aminocyclohexane-carboxylic acid | SY029216 | Cefapirin (BAN) | J-525018 | NoName_367 | trans 4-amino-cyclohexanecarboxylic acid | cis-4-Aminocyclohexanecarboxylic acid | cis-4-ami

Specifiche e purezza

≥95%, mixture of isomers

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488188470
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188470
• Sorrisi canonici: C1CC(CCC1C(=O)O)N
• IUPAC Name: 4-aminocyclohexane-1-carboxylic acid
• InChIKey: DRNGLYHKYPNTEA-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)
• Isomeri SMILES: C1CC(CCC1C(=O)O)N
• Peso molecolare: 143.19
• Beilstein: 14(4)981
• Reaxy-Rn: 1562988
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1562988&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Delta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Delta amino acids and derivatives
• Alternative Parents: Cyclohexylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Delta amino acid or derivatives - Cyclohexylamine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organopnictogen compound - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solubility in Water almost transparency；
• Sensibilità: Moisture sensitive
• Peso molecolare: 143.180 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.095 Da
• Monoisotopic Mass: 143.095 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 10
• 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: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1776-53-0, the molecular formula is C7H13NO2, and the molecular weight is 143.19 g/mol. InChIKey DRNGLYHKYPNTEA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.