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114591-53-6 | Guanidine, N,N,N',N',N''-pentabutyl-
CAS No: 114591-53-6 Catalog No: AG000ERK MDL No:
Product Description
Catalog Number:
AG000ERK
Chemical Name:
Guanidine, N,N,N',N',N''-pentabutyl-
CAS Number:
114591-53-6
Molecular Formula:
C21H45N3
Molecular Weight:
339.6021
IUPAC Name:
1,1,2,3,3-pentabutylguanidine
InChI:
InChI=1S/C21H45N3/c1-6-11-16-22-21(23(17-12-7-2)18-13-8-3)24(19-14-9-4)20-15-10-5/h6-20H2,1-5H3
InChI Key:
AXQUONJGMAVWJA-UHFFFAOYSA-N
SMILES:
CCCCN=C(N(CCCC)CCCC)N(CCCC)CCCC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.361g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.612g/mol
Monoisotopic Mass:
339.361g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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