DL-Pipecolic Acid-d9 - ≥98 atom% D9,≥95% , CAS No.790612-94-1

CAS: 790612-94-1 Cat. No.: D358401 분자식: C₆H₂D₉NO₂ 분자량: 138.21

GRADE & PURITY ≥98 atom% D9,≥95%

Synonyms

Pipecolic Acid-d9 | DL-Pipecolic Acid-d9 | 2,3,3,4,4,5,5,6,6-nonadeuteriopiperidine-2-carboxylic acid | HY-Y0669S | DL-2-PIPERIDINE-D9-CARBOXYLIC ACID | (2,3,3,4,4,5,5,6,6-?H?)piperidine-2-carboxylic acid | (2,3,3,4,4,5,5,6,6-~2~H_9_)Piperidine-2-carboxyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

Pipecolic Acid-d9 | DL-Pipecolic Acid-d9 | 2,3,3,4,4,5,5,6,6-nonadeuteriopiperidine-2-carboxylic acid | HY-Y0669S | DL-2-PIPERIDINE-D9-CARBOXYLIC ACID | (2,3,3,4,4,5,5,6,6-?H?)piperidine-2-carboxylic acid | (2,3,3,4,4,5,5,6,6-~2~H_9_)Piperidine-2-carboxyl

사양 및 순도

≥98 atom% D9,≥95%

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

INHIBITOR

순수함

≥98 atom% D9,≥95%

이름과 식별자

• 정식 스마일: C1CCNC(C1)C(=O)O
• IUPAC Name: 2,3,3,4,4,5,5,6,6-nonadeuteriopiperidine-2-carboxylic acid
• InChIKey: HXEACLLIILLPRG-UHUJFCCWSA-N
• INCHI: 1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/i1D2,2D2,3D2,4D2,5D
• 이성체 SMILES: [2H]C1(C(C(NC(C1([2H])[2H])([2H])C(=O)O)([2H])[2H])([2H])[2H])[2H]
• 대체 CAS: 535-75-1（unlabelled）
• 분자량: 138.21
• Reaxy-Rn: 81095
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81095&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

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

화학 및 물리적 특성

• 녹는점(°C): 270-275° C (dec.)
• 분자량: 138.210 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.135 Da
• Monoisotopic Mass: 138.135 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• Isotope Atom Count: 9
• 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