3-(Pyrrol-1-ylmethyl)pyridine - CAS 80866-95-1
Catalog: |
BB036574 |
Product Name: |
3-(Pyrrol-1-ylmethyl)pyridine |
CAS: |
80866-95-1 |
Synonyms: |
3-(pyrrol-1-ylmethyl)pyridine |
IUPAC Name: | 3-(pyrrol-1-ylmethyl)pyridine |
Description: | 3-(Pyrrol-1-ylmethyl)pyridine (CAS# 80866-95-1) is a useful research chemical. |
Molecular Weight: | 158.20 |
Molecular Formula: | C10H10N2 |
Canonical SMILES: | C1=CN(C=C1)CC2=CN=CC=C2 |
InChI: | InChI=1S/C10H10N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h1-8H,9H2 |
InChI Key: | PJVWPGGKILHMKW-UHFFFAOYSA-N |
Boiling Point: | 276.5 °C at 760 mmHg |
Density: | 1.04 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
MDL: | MFCD00006405 |
LogP: | 1.93140 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21588204 | 20100721 | Dibenzoatobis[3-(pyrrol-1-ylmeth-yl)pyridine]-zinc(II) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.084398327 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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