(3R,4R)-1-Benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidine - CAS 253129-03-2
Catalog: |
BB018855 |
Product Name: |
(3R,4R)-1-Benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidine |
CAS: |
253129-03-2 |
Synonyms: |
(3R,4R)-4-(hydroxymethyl)-1-(phenylmethyl)-3-pyrrolidinol; (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol |
IUPAC Name: | (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol |
Description: | (3R,4R)-1-Benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidine (CAS# 253129-03-2) is a useful research chemical. |
Molecular Weight: | 207.27 |
Molecular Formula: | C12H17NO2 |
Canonical SMILES: | C1C(C(CN1CC2=CC=CC=C2)O)CO |
InChI: | InChI=1S/C12H17NO2/c14-9-11-7-13(8-12(11)15)6-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12+/m1/s1 |
InChI Key: | XQYUBSUGHRDQSN-NEPJUHHUSA-N |
Boiling Point: | 336.679 °C at 760 mmHg |
Density: | 1.194 g/cm3 |
LogP: | 0.40950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3527554-A2 | Salt and polymorphic forms of (3r,4s)-l-((4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4(methylthiomethyl)pyrrolidin-3-ol(mtdia) | 20121112 |
US-2015274741-A1 | Salt and polymorphic forms of (3r,4s)-l-((4-amino-5h-pyrrolo[3,2,-d]pyrimidin-7-yl)methyl)-4(methylthiomethyl)pyrodin-3-ol(mtdia) | 20121112 |
US-9994574-B2 | Salt and polymorphic forms of (3R,4S)-L-((4-amino-5H-pyrrolo[3,2,-d]pyrimidin-7-yl)methyl)-4(methylthiomethyl)pyrodin-3-ol(MTDIA) | 20121112 |
WO-2014073989-A1 | Salt and polymorphic forms of (3r,4s)-l-((4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4(methylthiomethyl)pyrodin-3-ol(mtdia) | 20121112 |
EP-1968937-A1 | Deazapurine analogs of 1'-aza-l-nucleosides | 20051215 |
PMID | Publication Date | Title | Journal |
21689934 | 20110901 | Profiling base excision repair glycosylases with synthesized transition state analogs | Bioorganic & medicinal chemistry letters |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.125928785 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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