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10090-61-6 | Pyrrolidine, 1-[2-[4-(3,4-dihydro-2-phenyl-1-naphthalenyl)phenoxy]ethyl]-, hydrochloride (1:1)
CAS No: 10090-61-6 Catalog No: AG00035L MDL No:
Product Description
Catalog Number:
AG00035L
Chemical Name:
Pyrrolidine, 1-[2-[4-(3,4-dihydro-2-phenyl-1-naphthalenyl)phenoxy]ethyl]-, hydrochloride (1:1)
CAS Number:
10090-61-6
Molecular Formula:
C28H30ClNO
Molecular Weight:
431.9969
IUPAC Name:
1-[2-[4-(2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C28H29NO.ClH/c1-2-8-22(9-3-1)27-17-14-23-10-4-5-11-26(23)28(27)24-12-15-25(16-13-24)30-21-20-29-18-6-7-19-29;/h1-5,8-13,15-16H,6-7,14,17-21H2;1H
InChI Key:
UNQYZWLCGVJWRR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=C(c2ccc(cc2)OCCN2CCCC2)c2c(CC1)cccc2.Cl
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.202g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
432.004g/mol
Monoisotopic Mass:
431.202g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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