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116748-68-6 | 1H-Pyrrole, 2,2'-methylenebis[3-butyl-4-methyl-
CAS No: 116748-68-6 Catalog No: AG000D60 MDL No:
Product Description
Catalog Number:
AG000D60
Chemical Name:
1H-Pyrrole, 2,2'-methylenebis[3-butyl-4-methyl-
CAS Number:
116748-68-6
Molecular Formula:
C19H30N2
Molecular Weight:
286.4549
IUPAC Name:
3-butyl-2-[(3-butyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrole
InChI:
InChI=1S/C19H30N2/c1-5-7-9-16-14(3)12-20-18(16)11-19-17(10-8-6-2)15(4)13-21-19/h12-13,20-21H,5-11H2,1-4H3
InChI Key:
YBBQIEQQXBLASJ-UHFFFAOYSA-N
SMILES:
CCCCc1c(C)c[nH]c1Cc1[nH]cc(c1CCCC)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.241g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.463g/mol
Monoisotopic Mass:
286.241g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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