N'-Isopropylacetohydrazide - ≥95% , CAS No.4466-50-6

CAS: 4466-50-6 Cat. No.: N193444 Molecular Weight: 116.16

GRADE & PURITY ≥95%

Synonyms

DS-5394 | FT-0699427 | SCHEMBL1485441 | AH2AB88NBS | 4-04-00-03340 (Beilstein Handbook Reference) | MFCD01672496 | N'-Isopropylacetohydrazide | Acetic acid, N'-isopropylhydrazide | BRN 1744781 | UNII-AH2AB88NBS | F19849 | BCKXMOHZATYPNV-UHFFFAOYSA-N | ACE

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DS-5394 | FT-0699427 | SCHEMBL1485441 | AH2AB88NBS | 4-04-00-03340 (Beilstein Handbook Reference) | MFCD01672496 | N'-Isopropylacetohydrazide | Acetic acid, N'-isopropylhydrazide | BRN 1744781 | UNII-AH2AB88NBS | F19849 | BCKXMOHZATYPNV-UHFFFAOYSA-N | ACE

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504752988
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752988
• Canonical Smiles: CC(C)NNC(=O)C
• IUPAC Name: N'-propan-2-ylacetohydrazide
• InChIKey: BCKXMOHZATYPNV-UHFFFAOYSA-N
• INCHI: 1S/C5H12N2O/c1-4(2)6-7-5(3)8/h4,6H,1-3H3,(H,7,8)
• Isomeric SMILES: CC(C)NNC(=O)C
• Molecular Weight: 116.16
• Reaxy-Rn: 1744781
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744781&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Acetamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Acetamides
• Alternative Parents: Carboxylic acid hydrazides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetamide - Carboxylic acid hydrazide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl 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

Chemical and Physical Properties

• Molecular Weight: 116.160 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 116.095 Da
• Monoisotopic Mass: 116.095 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.500
• 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