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2961-50-4 | Pyridine, 4-pentyl-
CAS No: 2961-50-4 Catalog No: AG002YW7 MDL No:MFCD02093422
Product Description
Catalog Number:
AG002YW7
Chemical Name:
Pyridine, 4-pentyl-
CAS Number:
2961-50-4
Molecular Formula:
C10H15N
Molecular Weight:
149.2328
MDL Number:
MFCD02093422
IUPAC Name:
4-pentylpyridine
InChI:
InChI=1S/C10H15N/c1-2-3-4-5-10-6-8-11-9-7-10/h6-9H,2-5H2,1H3
InChI Key:
ABJVUPUJUGBUMM-UHFFFAOYSA-N
SMILES:
CCCCCc1ccncc1
EC Number:
220-994-1
NSC Number:
4694
Properties
Complexity:
84.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.237g/mol
Monoisotopic Mass:
149.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Water accessibility to the binding cleft as a major switching factor from entropy-driven to enthalpy-driven binding of an alkyl group by synthetic receptors. | Chemistry, an Asian journal 20100503 |
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