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24591-39-7 | Pyrrolidine, 1-[2-(2-phenoxyphenoxy)ethyl]-, hydrochloride (1:1)
CAS No: 24591-39-7 Catalog No: AG002OPA MDL No:
Product Description
Catalog Number:
AG002OPA
Chemical Name:
Pyrrolidine, 1-[2-(2-phenoxyphenoxy)ethyl]-, hydrochloride (1:1)
CAS Number:
24591-39-7
Molecular Formula:
C18H22ClNO2
Molecular Weight:
319.8258
IUPAC Name:
1-[2-(2-phenoxyphenoxy)ethyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C18H21NO2.ClH/c1-2-8-16(9-3-1)21-18-11-5-4-10-17(18)20-15-14-19-12-6-7-13-19;/h1-5,8-11H,6-7,12-15H2;1H
InChI Key:
JTHSJXWYDFRNEY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1ccccc1OCCN1CCCC1.Cl
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.829g/mol
Monoisotopic Mass:
319.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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