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126136-05-8 | 1H-Pyrrole, 2,2'-methylenebis[3-hexyl-4-methyl-
CAS No: 126136-05-8 Catalog No: AG000RQZ MDL No:
Product Description
Catalog Number:
AG000RQZ
Chemical Name:
1H-Pyrrole, 2,2'-methylenebis[3-hexyl-4-methyl-
CAS Number:
126136-05-8
Molecular Formula:
C23H38N2
Molecular Weight:
342.5612
IUPAC Name:
3-hexyl-2-[(3-hexyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrole
InChI:
InChI=1S/C23H38N2/c1-5-7-9-11-13-20-18(3)16-24-22(20)15-23-21(19(4)17-25-23)14-12-10-8-6-2/h16-17,24-25H,5-15H2,1-4H3
InChI Key:
MKLFRWSHEAOVRD-UHFFFAOYSA-N
SMILES:
CCCCCCc1c(C)c[nH]c1Cc1[nH]cc(c1CCCCCC)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.303g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.571g/mol
Monoisotopic Mass:
342.303g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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