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89649-07-0 | Pyrrolidine, 1-[1-(phenylmethylene)propyl]-
CAS No: 89649-07-0 Catalog No: AG003VJH MDL No:
Product Description
Catalog Number:
AG003VJH
Chemical Name:
Pyrrolidine, 1-[1-(phenylmethylene)propyl]-
CAS Number:
89649-07-0
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
IUPAC Name:
1-(1-phenylbut-1-en-2-yl)pyrrolidine
InChI:
InChI=1S/C14H19N/c1-2-14(15-10-6-7-11-15)12-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChI Key:
IDWOVDHKPJIXSJ-UHFFFAOYSA-N
SMILES:
CCC(=Cc1ccccc1)N1CCCC1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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