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81975-67-9 | Pyrrolidine, 1-[4-(2-naphthalenyloxy)butyl]-
CAS No: 81975-67-9 Catalog No: AG004ZTI MDL No:
Product Description
Catalog Number:
AG004ZTI
Chemical Name:
Pyrrolidine, 1-[4-(2-naphthalenyloxy)butyl]-
CAS Number:
81975-67-9
Molecular Formula:
C18H23NO
Molecular Weight:
269.3813
IUPAC Name:
1-(4-naphthalen-2-yloxybutyl)pyrrolidine
InChI:
InChI=1S/C18H23NO/c1-2-8-17-15-18(10-9-16(17)7-1)20-14-6-5-13-19-11-3-4-12-19/h1-2,7-10,15H,3-6,11-14H2
InChI Key:
BEZMZFQNWALNJJ-UHFFFAOYSA-N
SMILES:
C(COc1ccc2c(c1)cccc2)CCN1CCCC1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.388g/mol
Monoisotopic Mass:
269.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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