4-Aminomethyltetrahydropyran - CAS 130290-79-8
Catalog: |
BB007076 |
Product Name: |
4-Aminomethyltetrahydropyran |
CAS: |
130290-79-8 |
Synonyms: |
4-oxanylmethanamine; oxan-4-ylmethanamine |
IUPAC Name: | oxan-4-ylmethanamine |
Description: | 4-Aminomethyltetrahydropyran (CAS# 130290-79-8) is a reagent that is used in core modification in discovery of CC214-2 which is an orally available , selective inhibitor of mTOR kinase. 4-Aminomethyltetrahydropyran is also used as a reagent in the development of pyrazoloquinolines as PDE10A inhibitor for the treatment of schizophrenia. |
Molecular Weight: | 115.17 |
Molecular Formula: | C6H13NO |
Canonical SMILES: | C1COCCC1CN |
InChI: | InChI=1S/C6H13NO/c7-5-6-1-3-8-4-2-6/h6H,1-5,7H2 |
InChI Key: | IPBPLHNLRKRLPJ-UHFFFAOYSA-N |
Boiling Point: | 75-76 ℃ |
Density: | 0.942 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 ℃ |
MDL: | MFCD02179435 |
LogP: | 1.07200 |
GHS Hazard Statement: | H302 (55.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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Complexity: | 59.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 115.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.099714038 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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