D-(-)-Prolinamide - ≥99% , CAS No.62937-45-5

CAS: 62937-45-5 Cat. No.: P121653 분자식: C₅H₁₀N₂O 분자량: 114.15 Beilstein Registry Number: 471499 EC 번호: 613-116-7

등급 & 순도 ≥99%

Synonyms

h-d-pro-nh2|(R)-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE|(2r)-2-(aminocarbonyl)-pyrrolidine|d-pro-nh2|Viibryd (TN)|(R)-proline amide|(R)-rel-Pyrrolidine-2-carboxamide|(R)-pyrrolidine-2-carboxamide|D-PROLINE AMIDE|D-Prolinamide|h-d-pro-nh|(2R)-pyrrolidine-2-carboxamide|(R)-Prolinamide|(R)-2-Pyrrolidinecarboxamide|Prolinamide, D-|(S)-pyrrolidine-2-carboxamide;D-Prolinamide|(R)-D-(-)-Prolinamide

Storage

Room temperature

Shipped In

Normal

사양

동의어

h-d-pro-nh2 | (R)-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE | (2r)-2-(aminocarbonyl)-pyrrolidine | d-pro-nh2 | Viibryd (TN) | (R)-proline amide | (R)-rel-Pyrrolidine-2-carboxamide | (R)-pyrrolidine-2-carboxamide | D-PROLINE AMIDE | D-Prolinamide | h-d-pro-nh | (2R)-pyrrolidine-2-carboxamide | (R)-Prolinamide | (R)-2-Pyrrolidinecarboxamide | Pro Show more

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

488189854

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189854

정식 스마일

C1CC(NC1)C(=O)N

IUPAC Name

(2R)-pyrrolidine-2-carboxamide

InChIKey

VLJNHYLEOZPXFW-SCSAIBSYSA-N

INCHI

1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m1/s1

이성체 SMILES

C1C[C@@H](NC1)C(=O)N

WGK 독일

3

분자량

114.15

Beilstein

471499

Reaxy-Rn

80806

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80806&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 Proline and derivatives

• 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: Proline and derivatives
• Alternative Parents: Alpha amino acid amides Pyrrolidinecarboxamides Primary carboxylic acid amides Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid amide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine - Carboxamide group - Primary carboxylic acid amide - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• 용해성: Soluble in water.
• 특정 회전[α]: 109° (C=2,EtOH)
• 녹는점(°C): 101-103°C
• 분자량: 114.150 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.079 Da
• Monoisotopic Mass: 114.079 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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