3-Aminocyclobutanone Hydrochloride - CAS 1035374-20-9
Catalog: |
BB001170 |
Product Name: |
3-Aminocyclobutanone Hydrochloride |
CAS: |
1035374-20-9 |
Synonyms: |
3-amino-1-cyclobutanone;hydrochloride; 3-aminocyclobutan-1-one;hydrochloride |
IUPAC Name: | 3-aminocyclobutan-1-one;hydrochloride |
Description: | 3-Aminocyclobutanone Hydrochloride (CAS# 1035374-20-9) is used to prepare aminocyclopentenyl- and aminocyclobutylphosphinic acids as γ-aminobutyric acid ρ1 receptor antagonists. It is also used to prepare pyrrolopyrazine derivs. as selective spleen tyrosine kinase inhibitors. |
Molecular Weight: | 121.57 |
Molecular Formula: | C4H8ClNO |
Canonical SMILES: | C1C(CC1=O)N.Cl |
InChI: | InChI=1S/C4H7NO.ClH/c5-3-1-4(6)2-3;/h3H,1-2,5H2;1H |
InChI Key: | NEQHFBUOBOTJDV-UHFFFAOYSA-N |
Appearance: | White powder |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.17890 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3093877-A1 | Antimalarial hexahydropyrimidine analogues | 20180406 |
CN-111936472-A | Anti-malarial hexahydropyrimidine analogues | 20180406 |
US-2021094941-A1 | Antimalarial Hexahydropyrimidine Analogues | 20180406 |
JP-2021520388-A | Antimalarial hexahydropyrimidine analog | 20180406 |
AU-2016370779-A1 | Quinoline-3-carboxamides as H-PGDS inhibitors | 20151217 |
Complexity: | 71.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.0294416 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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