CAS
695-05-6 Purity
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695-05-6 Purity
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1,3-Bis(1-imidazolyl)propane
CAS
69506-85-0
Catalog Number
ACM69506850-2
Category
Other Products
Molecular Weight
176.22
Molecular Formula
C9H12N4
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Specification
Synonyms
1,3-Di-(1H-imidazol-1-yl)propane;1-[3-(1H-Imidazol-1-yl)propyl]-1H-imidazole
IUPAC Name
1-(3-imidazol-1-ylpropyl)imidazole
InChI
InChI=1S/C9H12N4/c1(4-12-6-2-10-8-12)5-13-7-3-11-9-13/h2-3,6-9H,1,4-5H2
InChI Key
ISXPITWIJWSEKJ-UHFFFAOYSA-N
Boiling Point
82-84 °C
Melting Point
82-84 °C
Complexity
135
CompoundIs Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
176.106196400g/mol
Formal Charge
0
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
176.106196400g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
35.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0
June 16, 2023
Very comprehensive
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