Alaninal , CAS No.4744-12-1

CAS: 4744-12-1 Cat. No.: A1311125 분자식: C₃H₇NO 분자량: 73.09

Storage

Room temperature

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Specifications

보관 조건

Room temperature

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Normal

이름과 식별자

• 정식 스마일: CC(C=O)N
• IUPAC Name: 2-aminopropanal
• InChIKey: QPMCUNAXNMSGTK-UHFFFAOYSA-N
• INCHI: 1S/C3H7NO/c1-3(4)2-5/h2-3H,4H2,1H3
• 분자량: 73.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Primary aliphatic amine - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine 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: 73.090 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 73.0528 Da
• Monoisotopic Mass: 73.0528 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 35.900
• 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