Propionic acid 2-phenylhydrazide - ≥97% , CAS No.20730-02-3

CAS: 20730-02-3 Cat. No.: P168472 분자식: C₉H₁₂N₂O 분자량: 164.20 EC 번호: 653-971-3

GRADE & PURITY ≥97%

Synonyms

Fenylhydrazid kyseliny propionove [Czech] | Propanoic acid, 2-phenylhydrazide | SCHEMBL1531488 | MLS000056905 | MFCD01366560 | NSC 19564 | .beta.-Propionyl phenyl hydrazine | BETA-PROPIONYLPHENYLHYDRAZINE | Phennylhydrazino, N-2-propionyl- | AI3-01559 | 4

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

동의어

Fenylhydrazid kyseliny propionove [Czech] | Propanoic acid, 2-phenylhydrazide | SCHEMBL1531488 | MLS000056905 | MFCD01366560 | NSC 19564 | .beta.-Propionyl phenyl hydrazine | BETA-PROPIONYLPHENYLHYDRAZINE | Phennylhydrazino, N-2-propionyl- | AI3-01559 | 4

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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순수함

≥97%

이름과 식별자

• 정식 스마일: CCC(=O)NNC1=CC=CC=C1
• IUPAC Name: N'-phenylpropanehydrazide
• InChIKey: HXAKXFPOKDRNCQ-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O/c1-2-9(12)11-10-8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,11,12)
• 이성체 SMILES: CCC(=O)NNC1=CC=CC=C1
• 분자량: 164.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Carboxylic acid hydrazides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
• 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

• 분자량: 164.200 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.095 Da
• Monoisotopic Mass: 164.095 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 141.000
• 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