Quinuclidine-3-methanol - CAS 5176-22-7
Catalog: |
BB027576 |
Product Name: |
Quinuclidine-3-methanol |
CAS: |
5176-22-7 |
Synonyms: |
1-azabicyclo[2.2.2]octan-3-ylmethanol; 1-azabicyclo[2.2.2]octan-3-ylmethanol |
IUPAC Name: | 1-azabicyclo[2.2.2]octan-3-ylmethanol |
Description: | Quinuclidine-3-methanol (CAS# 5176-22-7) is a useful research chemical. |
Molecular Weight: | 141.21 |
Molecular Formula: | C8H15NO |
Canonical SMILES: | C1CN2CCC1C(C2)CO |
InChI: | InChI=1S/C8H15NO/c10-6-8-5-9-3-1-7(8)2-4-9/h7-8,10H,1-6H2 |
InChI Key: | GUAWHSHTXVVCLZ-UHFFFAOYSA-N |
Boiling Point: | 201.551 °C at 760 mmHg |
Density: | 1.096 g/cm3 |
LogP: | 0.25840 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-3021947-A1 | Substituted purine derivative | 20160426 |
EP-3450433-A1 | Substituted purine derivative | 20160426 |
TW-201739748-A | Substituted indole derivative | 20160426 |
US-10703755-B2 | Substituted purine derivative | 20160426 |
US-2019169191-A1 | Substituted purine derivative | 20160426 |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.115364102 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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