4-(Hydroxymethyl)-1-phenylpyrrolidin-2-one - CAS 64320-90-7
Catalog: |
BB032436 |
Product Name: |
4-(Hydroxymethyl)-1-phenylpyrrolidin-2-one |
CAS: |
64320-90-7 |
Synonyms: |
4-(hydroxymethyl)-1-phenylpyrrolidin-2-one |
IUPAC Name: | 4-(hydroxymethyl)-1-phenylpyrrolidin-2-one |
Description: | 4-(Hydroxymethyl)-1-phenylpyrrolidin-2-one (CAS# 64320-90-7) is a useful research chemical. |
Molecular Weight: | 191.23 |
Molecular Formula: | C11H13NO2 |
Canonical SMILES: | C1C(CN(C1=O)C2=CC=CC=C2)CO |
InChI: | InChI=1S/C11H13NO2/c13-8-9-6-11(14)12(7-9)10-4-2-1-3-5-10/h1-5,9,13H,6-8H2 |
InChI Key: | JVDJUABJKGWBCD-UHFFFAOYSA-N |
Boiling Point: | 426.514 °C at 760 mmHg |
Density: | 1.202 g/cm3 |
MDL: | MFCD09055223 |
LogP: | 1.09680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2608957-A1 | Pyrrolidine derivative or salt thereof | 20050519 |
CA-2608957-C | Pyrrolidine derivative or salt thereof | 20050519 |
DK-1882684-T3 | PYRROLIDE INGREDIENTS OR SALTS THEREOF | 20050519 |
EP-1882684-A1 | Pyrrolidine derivative or salt thereof | 20050519 |
EP-1882684-B1 | Pyrrolidine derivative or salt thereof | 20050519 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.094628657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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Pyrrolidines
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