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835654-21-2 | Pyrrolidine, 1-[1-(phenylethynyl)cyclohexyl]-
CAS No: 835654-21-2 Catalog No: AG004ZA5 MDL No:
Product Description
Catalog Number:
AG004ZA5
Chemical Name:
Pyrrolidine, 1-[1-(phenylethynyl)cyclohexyl]-
CAS Number:
835654-21-2
Molecular Formula:
C18H23N
Molecular Weight:
253.3819
IUPAC Name:
1-[1-(2-phenylethynyl)cyclohexyl]pyrrolidine
InChI:
InChI=1S/C18H23N/c1-3-9-17(10-4-1)11-14-18(12-5-2-6-13-18)19-15-7-8-16-19/h1,3-4,9-10H,2,5-8,12-13,15-16H2
InChI Key:
UEVVBBWQFQWVIS-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)(C#Cc1ccccc1)N1CCCC1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.389g/mol
Monoisotopic Mass:
253.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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