cis-4-Aminocyclohexanecarboxylic Acid - ≥98% , CAS No.3685-23-2

CAS: 3685-23-2 Cat. No.: C153750 Fórmula: C₇H₁₃NO₂ Peso molecular: 143.19 Beilstein Registry Number: 14301 Número CE: 626-259-5

GRADE & PURITY ≥98%

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

Room temperature,Argon charged

Shipped In

Normal

Visão geral

cis-4-aminocyclohexanecarboxylic acid (C4-ACHC, cis-ACCA) exists in zwitterionic form. Cyclohexane ring in the molecule of cis-4-aminocyclohexanecarboxylic acid is present in chair conformation. The carboxylate and ammonium groups in the molecule occupy axial and equatorial positions, respectively. It co-crystallizes with water molecules in a 2:1 (amino acid:water ratio). H-Cys-Leu-Gly-Gly-Leu-Leu-Thr-Met-Val-OH (CLG) peptide analogue containing cis-ACCA has been prepared and its activity has been studied.
cis-4-Aminocyclohexanecarboxylic acid may be used in the synthesis of new analogs of arginine Vasotocin (AVP). It may be used in the synthesis of cis-4-[[[(2-chloroethyl)nitrosoamino]carbonyl]methylamino]cyclohexanecarboxylic acid.

Specifications

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508817091

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508817091

Sorrisos canónicos

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)

SMILES isoméricas

C1CC(CCC1C(=O)O)N

Peso molecular

143.19

Beilstein

14301

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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water
• Sensibilidade: Moisture sensitive.
• Ponto de fusão (°C): 299-301℃
• Peso molecular: 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