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102446-20-8 | Pyrrolidine, 3-[(4-chlorophenyl)phenylmethoxy]-1-(2-methylpropyl)-, hydrochloride (1:1)
CAS No: 102446-20-8 Catalog No: AG0007IT MDL No:
Product Description
Catalog Number:
AG0007IT
Chemical Name:
Pyrrolidine, 3-[(4-chlorophenyl)phenylmethoxy]-1-(2-methylpropyl)-, hydrochloride (1:1)
CAS Number:
102446-20-8
Molecular Formula:
C21H27Cl2NO
Molecular Weight:
380.3512
IUPAC Name:
3-[(4-chlorophenyl)-phenylmethoxy]-1-(2-methylpropyl)pyrrolidine;hydrochloride
InChI:
InChI=1S/C21H26ClNO.ClH/c1-16(2)14-23-13-12-20(15-23)24-21(17-6-4-3-5-7-17)18-8-10-19(22)11-9-18;/h3-11,16,20-21H,12-15H2,1-2H3;1H
InChI Key:
KDDZJPQFSRCWHF-UHFFFAOYSA-N
SMILES:
CC(CN1CCC(C1)OC(c1ccc(cc1)Cl)c1ccccc1)C.Cl
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.353g/mol
Monoisotopic Mass:
379.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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