3-(3-Pyridyl)propylamine - CAS 41038-69-1
Catalog: |
BB024759 |
Product Name: |
3-(3-Pyridyl)propylamine |
CAS: |
41038-69-1 |
Synonyms: |
3-(3-pyridinyl)-1-propanamine; 3-pyridin-3-ylpropan-1-amine |
IUPAC Name: | 3-pyridin-3-ylpropan-1-amine |
Description: | 3-(3-Pyridyl)propylamine (CAS# 41038-69-1) is a useful research chemical for various organic synthesis transformations. It is used in the intra-molecular nucleophilic cyclization of 4-(3-pyridyl)butylamine to yield 6,7,8,9 tetrahydro-5H-pyrido-[2,3-b]azepine. 3-(3-Pyridyl)propylamine is also used in the synthesis of pocket porphyrins. |
Molecular Weight: | 136.19 |
Molecular Formula: | C8H12N2 |
Canonical SMILES: | C1=CC(=CN=C1)CCCN |
InChI: | InChI=1S/C8H12N2/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5,9H2 |
InChI Key: | CORPZWBVJRCLMW-UHFFFAOYSA-N |
LogP: | 1.67320 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
17125252 | 20061130 | Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization | Journal of medicinal chemistry |
Complexity: | 83.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.100048391 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Pyridines
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