(R)-3-Hydroxy-1-methylpyrrolidine - CAS 104641-60-3
Catalog: |
BB001442 |
Product Name: |
(R)-3-Hydroxy-1-methylpyrrolidine |
CAS: |
104641-60-3 |
Synonyms: |
(3R)-1-methyl-3-pyrrolidinol; (3R)-1-methylpyrrolidin-3-ol |
IUPAC Name: | (3R)-1-methylpyrrolidin-3-ol |
Description: | (R)-3-Hydroxy-1-methylpyrrolidine (CAS# 104641-60-3) is a useful synthetic intermediate. It is used for asymmetric synthesis of constrained (-)-S-adenosyl-L-homocysteine (SAH) analogs as DNA methyltransferase inhibitors. |
Molecular Weight: | 101.15 |
Molecular Formula: | C5H11NO |
Canonical SMILES: | CN1CCC(C1)O |
InChI: | InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3/t5-/m1/s1 |
InChI Key: | FLVFPAIGVBQGET-RXMQYKEDSA-N |
Boiling Point: | 50-52 °C (1 mmHg) |
Density: | 0.921 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD03788747 |
LogP: | -0.37930 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2015158858-A1 | Heteroaryl derivatives | 20131205 |
US-9133185-B2 | Heteroaryl derivatives | 20131205 |
WO-2015082616-A1 | Heteroaryl derivatives for the treatment of respiratory diseases | 20131205 |
US-2015141402-A1 | Purine derivatives | 20131121 |
US-9290496-B2 | Purine derivatives | 20131121 |
Complexity: | 65.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 101.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 101.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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