1-Benzyl-4-(hydroxymethyl)-1,2,3,6-tetrahydropyridine - CAS 158984-76-0
Catalog: |
BB011481 |
Product Name: |
1-Benzyl-4-(hydroxymethyl)-1,2,3,6-tetrahydropyridine |
CAS: |
158984-76-0 |
Synonyms: |
[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]methanol; (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanol |
IUPAC Name: | (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanol |
Description: | 1-Benzyl-4-(hydroxymethyl)-1,2,3,6-tetrahydropyridine (CAS# 158984-76-0 ) is a useful research chemical. |
Molecular Weight: | 203.28 |
Molecular Formula: | C13H17NO |
Canonical SMILES: | C1CN(CC=C1CO)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H17NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-6,15H,7-11H2 |
InChI Key: | KWEISZMWJPDOFR-UHFFFAOYSA-N |
LogP: | 1.74890 |
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 |
WO-2021198955-A1 | Compounds active towards nuclear receptors | 20200331 |
US-2021188807-A1 | Compounds active towards nuclear receptors | 20191220 |
US-2019262819-A1 | Oxidative Dehydroxymethylation of Alcohols to Produce Olefins | 20180226 |
US-2019263729-A1 | Normal Alpha Olefin Synthesis Using Dehydroformylation or Dehydroxymethylation | 20180226 |
US-10723672-B2 | Normal alpha olefin synthesis using dehydroformylation or dehydroxymethylation | 20180226 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.131014166 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 23.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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