3-Methylazetidine trifluoroacetic acid - CAS 1466515-56-9
Catalog: |
BB054227 |
Product Name: |
3-Methylazetidine trifluoroacetic acid |
CAS: |
1466515-56-9 |
Synonyms: |
3-Methylazetidine trifluoroacetate (1:1); Acetic acid, 2,2,2-trifluoro-, compd. with 3-methylazetidine (1:1) |
Related CAS: | 35196-99-7 (free base)
|
IUPAC Name: | 3-methylazetidine;2,2,2-trifluoroacetic acid |
Molecular Weight: | 185.14 |
Molecular Formula: | C4H9N.C2HF3O2 |
Canonical SMILES: | CC1CNC1.C(=O)(C(F)(F)F)O |
InChI: | InChI=1S/C4H9N.C2HF3O2/c1-4-2-5-3-4;3-2(4,5)1(6)7/h4-5H,2-3H2,1H3;(H,6,7) |
InChI Key: | LGMIWHJPUJYAST-UHFFFAOYSA-N |
Purity: | ≥95% |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.06636305 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.06636305 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Azetidines
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