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27594-18-9 | Pyrrolidine, 1,1'-(1,3-phenylene)bis-
CAS No: 27594-18-9 Catalog No: AG002U79 MDL No:
Product Description
Catalog Number:
AG002U79
Chemical Name:
Pyrrolidine, 1,1'-(1,3-phenylene)bis-
CAS Number:
27594-18-9
Molecular Formula:
C14H20N2
Molecular Weight:
216.3220
IUPAC Name:
1-(3-pyrrolidin-1-ylphenyl)pyrrolidine
InChI:
InChI=1S/C14H20N2/c1-2-9-15(8-1)13-6-5-7-14(12-13)16-10-3-4-11-16/h5-7,12H,1-4,8-11H2
InChI Key:
AXDQOOKJHFIYLE-UHFFFAOYSA-N
SMILES:
C1CCN(C1)c1cccc(c1)N1CCCC1
NSC Number:
145018
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.328g/mol
Monoisotopic Mass:
216.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Antimicrobial activity studies on some piperidine and pyrrolidine substituted halogenobenzene derivatives. | Journal of enzyme inhibition and medicinal chemistry 20060401 |
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