3-(Aminomethyl)-3-(hydroxymethyl)oxetane - CAS 45513-32-4
Catalog: |
BB025903 |
Product Name: |
3-(Aminomethyl)-3-(hydroxymethyl)oxetane |
CAS: |
45513-32-4 |
Synonyms: |
[3-(aminomethyl)-3-oxetanyl]methanol; [3-(aminomethyl)oxetan-3-yl]methanol |
IUPAC Name: | [3-(aminomethyl)oxetan-3-yl]methanol |
Description: | 3-(Aminomethyl)-3-(hydroxymethyl)oxetane (CAS# 45513-32-4) is a building block used in the preparation of isoquinoline and pyrido[3,4-d]pyrimidine derivatives as Mps1 inhibitors. |
Molecular Weight: | 117.15 |
Molecular Formula: | C5H11NO2 |
Canonical SMILES: | C1C(CO1)(CN)CO |
InChI: | InChI=1S/C5H11NO2/c6-1-5(2-7)3-8-4-5/h7H,1-4,6H2 |
InChI Key: | GGYZOSLAJSUXRM-UHFFFAOYSA-N |
Boiling Point: | 217 °C at 760 mmHg |
Density: | 1.128 g/cm3 |
LogP: | -0.34570 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021195346-A1 | Lipoxygenase inhibitors | 20200325 |
WO-2021133689-A2 | Lipoxygenase inhibitors | 20191223 |
WO-2020128925-A1 | Macrocyclic compounds and their use in the treatment of disease | 20181221 |
CN-113227087-A | Macrocyclic compounds and their use in the treatment of disease | 20181221 |
EP-3898621-A1 | Macrocyclic compounds and their use in the treatment of disease | 20181221 |
Complexity: | 80.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 117.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 117.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.7 |
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