3,3-Oxetanedimethanamine dihydrochloride - CAS 111511-89-8
Catalog: |
BB002773 |
Product Name: |
3,3-Oxetanedimethanamine dihydrochloride |
CAS: |
111511-89-8 |
Synonyms: |
[3-(aminomethyl)oxetan-3-yl]methanamine;dihydrochloride |
IUPAC Name: | [3-(aminomethyl)oxetan-3-yl]methanamine;dihydrochloride |
Description: | 3,3-Oxetanedimethanamine dihydrochloride (CAS# 111511-89-8) is a useful research chemical. |
Molecular Weight: | 189.08 |
Molecular Formula: | C5H12N2O · 2HCl |
Canonical SMILES: | C1C(CO1)(CN)CN.Cl.Cl |
InChI: | InChI=1S/C5H12N2O.2ClH/c6-1-5(2-7)3-8-4-5;;/h1-4,6-7H2;2*1H |
InChI Key: | POPWYXVILDNQQS-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD18643362 |
LogP: | 1.92500 |
Publication Number | Title | Priority Date |
AU-2014334554-A1 | Selectively substituted quinoline compounds | 20131014 |
AU-2014334554-B2 | Selectively substituted quinoline compounds | 20131014 |
AU-2018264036-A1 | Selectively substituted quinoline compounds | 20131014 |
CA-2927510-A1 | Selectively substituted quinoline compounds | 20131014 |
EP-3057964-A1 | Selectively substituted quinoline compounds | 20131014 |
Complexity: | 74.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0483185 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0483185 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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