N-Nitroso-D,L-pipecolic Acid - ≥95% , CAS No.4515-18-8

CAS: 4515-18-8 Cat. No.: N340685 Summenformel: C₆H₁₀N₂O₃ Molekulargewicht: 158.16 EG-Nummer: 872-139-2

GRADE & PURITY ≥95%

Synonyms

BDBM50403317 | N-Nitrosopipecolinic acid | GT0I550TQK | SY205290 | Q27279267 | MFCD01704295 | 1-nitrosopiperidine-2-carboxylic acid | UNII-GT0I550TQK | FT-0672985 | 1-Nitrosopipecolic acid | N-Nitrosopipecolic acid | AKOS006277089 | 1-Nitroso-2-piperidine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

BDBM50403317 | N-Nitrosopipecolinic acid | GT0I550TQK | SY205290 | Q27279267 | MFCD01704295 | 1-nitrosopiperidine-2-carboxylic acid | UNII-GT0I550TQK | FT-0672985 | 1-Nitrosopipecolic acid | N-Nitrosopipecolic acid | AKOS006277089 | 1-Nitroso-2-piperidine

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528766030

Kanonisches Lächeln

C1CCN(C(C1)C(=O)O)N=O

IUPAC Name

1-nitrosopiperidine-2-carboxylic acid

InChIKey

DSGKTUVITPQPRT-UHFFFAOYSA-N

INCHI

1S/C6H10N2O3/c9-6(10)5-3-1-2-4-8(5)7-11/h5H,1-4H2,(H,9,10)

Isomere SMILES

C1CCN(C(C1)C(=O)O)N=O

Molekulargewicht

158.16

Reaxy-Rn

6262

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6262&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Piperidinecarboxylic acids Nitrosopiperidines Organic N-nitroso compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Piperidinecarboxylic acid - 1-nitrosopiperidine - Piperidine - Organic n-nitroso compound - Organic nitroso compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Zugehörige Ziele (nicht menschlich)

dapA Dihydrodipicolinate synthase (65 Activities)

Discover Target: dapA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Acetone and Chloroform
• Schmelzpunkt (°C): 89-90°C (lit.)
• Molekulargewicht: 158.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 158.069 Da
• Monoisotopic Mass: 158.069 Da
• Topological Polar Surface Area: 70.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 171.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1