N-Acetylhomopiperazine - ≥97% , CAS No.61903-11-5

CAS: 61903-11-5 Cat. No.: I135038 Molecular Weight: 142.20 Beilstein Registry Number: 606764 EC Number: 628-822-0

GRADE & PURITY ≥97%

Synonyms

DTXSID00400480 | SCHEMBL44868 | N-Acetylhomopperazne | 4-acetylhomopiperazine | AKOS000119045 | N-acetyl-homopiperizine | N-Acetylhomopiperazine | N-acetyl-homopiperazine | Z166645986 | SY061927 | F8881-2646 | J-523436 | MFCD00674492 | 1-(1,4-Diazepan-1-Y

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID00400480 | SCHEMBL44868 | N-Acetylhomopperazne | 4-acetylhomopiperazine | AKOS000119045 | N-acetyl-homopiperizine | N-Acetylhomopiperazine | N-acetyl-homopiperazine | Z166645986 | SY061927 | F8881-2646 | J-523436 | MFCD00674492 | 1-(1, 4-Diazepan-1-Y

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=O)N1CCCNCC1
• IUPAC Name: 1-(1,4-diazepan-1-yl)ethanone
• InChIKey: TWJPZMYNUBAUGA-UHFFFAOYSA-N
• INCHI: 1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3
• Isomeric SMILES: CC(=O)N1CCCNCC1
• WGK Germany: 3
• Molecular Weight: 142.20
• Beilstein: 606764
• Reaxy-Rn: 606764
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606764&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazepanes
      • Subclass 1,4-diazepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazepanes
• Subclass: 1,4-diazepanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-diazepanes
• Alternative Parents: Tertiary carboxylic acid amides Acetamides Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4-diazepane - Acetamide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane ring.
• 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

• Sensitivity: Light, air and moisture sensitive
• Refractive Index: 1.51
• Molecular Weight: 142.200 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.111 Da
• Monoisotopic Mass: 142.111 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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