3-aminocyclobutan-1-one hydrochloride - ≥97% , CAS No.1035374-20-9

CAS: 1035374-20-9 Cat. No.: A171772 Molecular Weight: 121.57 EC Number: 817-325-6

GRADE & PURITY ≥97%

Synonyms

3-AMINOCYCLOBUTANONE HCL | 3-Amino-cyclobutanone HCl | F2147-8243 | 3-aminocyclobutan-1-one;hydrochloride | 3-Aminocyclobutanone HCl;3-Aminocyclobutan-1-one hydrochloride | 3-Aminocyclobutan-1-one HCl | SY022838 | DTXSID90677548 | PB20766 | MFCD12923220 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-AMINOCYCLOBUTANONE HCL | 3-Amino-cyclobutanone HCl | F2147-8243 | 3-aminocyclobutan-1-one;hydrochloride | 3-Aminocyclobutanone HCl;3-Aminocyclobutan-1-one hydrochloride | 3-Aminocyclobutan-1-one HCl | SY022838 | DTXSID90677548 | PB20766 | MFCD12923220 |

Specifications & Purity

≥97%

Storage

Store at 2-8°C, 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: C1C(CC1=O)N.Cl
• IUPAC Name: 3-aminocyclobutan-1-one;hydrochloride
• InChIKey: NEQHFBUOBOTJDV-UHFFFAOYSA-N
• INCHI: 1S/C4H7NO.ClH/c5-3-1-4(6)2-3;/h3H,1-2,5H2;1H
• Isomeric SMILES: C1C(CC1=O)N.Cl
• Alternate CAS: 4640-43-1
• Molecular Weight: 121.57
• Reaxy-Rn: 18874183
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18874183&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• 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: 121.560 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 121.029 Da
• Monoisotopic Mass: 121.029 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 71.600
• 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: 2

XLogP3

References

1. Ziyue Zhang, Zhuoer Cai, Yinan Zhang, Jian Chen, Xiu-Ni Hua, Baiwang Sun.  (2025)  Synthesis and Characterization of 18-Crown-6 with 3-Aminocyclobutanone Guest: A Novel Host–Guest Inclusion Compound with Phase Transition.  ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE,  651  (3): (e202400210).  [PMID:] [10.1002/zaac.202400210]