2-(3-Pyrrolidinyl)ethanol - CAS 931-44-2
Catalog: |
BB040791 |
Product Name: |
2-(3-Pyrrolidinyl)ethanol |
CAS: |
931-44-2 |
Synonyms: |
2-(3-pyrrolidinyl)ethanol; 2-pyrrolidin-3-ylethanol |
IUPAC Name: | 2-pyrrolidin-3-ylethanol |
Description: | 2-(3-Pyrrolidinyl)ethanol (CAS# 931-44-2) is a useful research chemical. |
Molecular Weight: | 115.17 |
Molecular Formula: | C6H13NO |
Canonical SMILES: | C1CNCC1CCO |
InChI: | InChI=1S/C6H13NO/c8-4-2-6-1-3-7-5-6/h6-8H,1-5H2 |
InChI Key: | NKRLLPCWCPIQPL-UHFFFAOYSA-N |
Boiling Point: | 201.402 °C at 760 mmHg |
Density: | 0.961 g/cm3 |
Appearance: | Clear colorless liquid |
LogP: | 0.30710 |
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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020123395-A1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 20181210 |
TW-202039487-A | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 20181210 |
CN-113166078-A | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors | 20181210 |
EP-3894396-A1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 20181210 |
US-11046691-B1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors | 20181210 |
Complexity: | 65.5 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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