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799248-22-9 | 1H-Imidazole, 2,2',2''-phosphinidynetris[1-butyl-
CAS No: 799248-22-9 Catalog No: AG004Z9E MDL No:
Product Description
Catalog Number:
AG004Z9E
Chemical Name:
1H-Imidazole, 2,2',2''-phosphinidynetris[1-butyl-
CAS Number:
799248-22-9
Molecular Formula:
C21H33N6P
Molecular Weight:
400.5007
IUPAC Name:
tris(1-butylimidazol-2-yl)phosphane
InChI:
InChI=1S/C21H33N6P/c1-4-7-13-25-16-10-22-19(25)28(20-23-11-17-26(20)14-8-5-2)21-24-12-18-27(21)15-9-6-3/h10-12,16-18H,4-9,13-15H2,1-3H3
InChI Key:
GTLPQMAFYBPCNJ-UHFFFAOYSA-N
SMILES:
CCCCn1ccnc1P(c1nccn1CCCC)c1nccn1CCCC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.25g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.511g/mol
Monoisotopic Mass:
400.25g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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