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188009-13-4 | Benzeneethanamine, 3-(cyclopentyloxy)-4-methoxy-β-(2-phenylethynyl)-, hydrochloride (1:1)
CAS No: 188009-13-4 Catalog No: AG002GN3 MDL No:
Product Description
Catalog Number:
AG002GN3
Chemical Name:
Benzeneethanamine, 3-(cyclopentyloxy)-4-methoxy-β-(2-phenylethynyl)-, hydrochloride (1:1)
CAS Number:
188009-13-4
Molecular Formula:
C22H26ClNO2
Molecular Weight:
371.9003
IUPAC Name:
2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-yn-1-amine;hydrochloride
InChI:
InChI=1S/C22H25NO2.ClH/c1-24-21-14-13-18(15-22(21)25-20-9-5-6-10-20)19(16-23)12-11-17-7-3-2-4-8-17;/h2-4,7-8,13-15,19-20H,5-6,9-10,16,23H2,1H3;1H
InChI Key:
YULUIMOTYNZJIZ-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(c(c1)OC1CCCC1)OC)C#Cc1ccccc1.Cl
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.165g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.905g/mol
Monoisotopic Mass:
371.165g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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