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1015-02-7 | Pyrrolidine, 1-(3-phenyl-2-propyn-1-yl)-
CAS No: 1015-02-7 Catalog No: AG0004N8 MDL No:
Product Description
Catalog Number:
AG0004N8
Chemical Name:
Pyrrolidine, 1-(3-phenyl-2-propyn-1-yl)-
CAS Number:
1015-02-7
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
1-(3-phenylprop-2-ynyl)pyrrolidine
InChI:
InChI=1S/C13H15N/c1-2-7-13(8-3-1)9-6-12-14-10-4-5-11-14/h1-3,7-8H,4-5,10-12H2
InChI Key:
RMUXFGSBUMKISW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#CCN1CCCC1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 1-(3-Phenyl-prop-2-yn-yl)pyrrolidinium chloride. | Acta crystallographica. Section E, Structure reports online 20091101 |
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