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114662-36-1 | Pyrrolidine, 1,1'-[(4,6-dimethyl-1,3-phenylene)bis(methylene)]bis- (9CI)
CAS No: 114662-36-1 Catalog No: AG000EZM MDL No:
Product Description
Catalog Number:
AG000EZM
Chemical Name:
Pyrrolidine, 1,1'-[(4,6-dimethyl-1,3-phenylene)bis(methylene)]bis- (9CI)
CAS Number:
114662-36-1
Molecular Formula:
C18H28N2
Molecular Weight:
272.4283
IUPAC Name:
1-[[2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine
InChI:
InChI=1S/C18H28N2/c1-15-11-16(2)18(14-20-9-5-6-10-20)12-17(15)13-19-7-3-4-8-19/h11-12H,3-10,13-14H2,1-2H3
InChI Key:
XBJRXFLWYOODLU-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(cc1CN1CCCC1)CN1CCCC1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.225g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.436g/mol
Monoisotopic Mass:
272.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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