3-Fluoroazetidine hydrochloride - CAS 617718-46-4
Catalog: |
BB031251 |
Product Name: |
3-Fluoroazetidine hydrochloride |
CAS: |
617718-46-4 |
Synonyms: |
3-fluoroazetidine;hydrochloride; 3-fluoroazetidine;hydrochloride |
IUPAC Name: | 3-fluoroazetidine;hydrochloride |
Description: | Used in the preparation of fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors. |
Molecular Weight: | 111.55 |
Molecular Formula: | C3H7ClFN |
Canonical SMILES: | C1C(CN1)F.Cl |
InChI: | InChI=1S/C3H6FN.ClH/c4-3-1-5-2-3;/h3,5H,1-2H2;1H |
InChI Key: | PXFUWRWCKSLCLS-UHFFFAOYSA-N |
Boiling Point: | 59.3 °C at 760 mmHg |
Purity: | 95 % |
Appearance: | White to off white solid |
MDL: | MFCD05663715 |
LogP: | 1.05850 |
GHS Hazard Statement: | H302 (71.43%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 33.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.0251051 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.0251051 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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