CAS
98069-82-0 Purity
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98069-82-0 Purity
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Bis[1h-benzimidazole-1-pentylammonium]sulfate
CAS
98071-99-9
Catalog Number
ACM98071999
Category
Other Products
Molecular Weight
504.645440 [g/mol]
Molecular Formula
C24H36N6O4S
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Specification
Synonyms
EINECS 308-449-7, Bis(1H-benzimidazole-1-pentylammonium) sulphate, 98071-99-9
IUPAC Name
N-pentylbenzimidazol-1-amine; sulfuric acid
InChI Key
ONURNBREDJHPNT-UHFFFAOYSA-N
Exact Mass
504.25200
H-Bond Acceptor
8
H-Bond Donor
4
What is the molecular formula of Bis[1h-benzimidazole-1-pentylammonium]sulfate?
The molecular formula is C24H36N6O4S.
What is the molecular weight of Bis[1h-benzimidazole-1-pentylammonium]sulfate?
The molecular weight is 504.6 g/mol.
What is the IUPAC name of Bis[1h-benzimidazole-1-pentylammonium]sulfate?
The IUPAC name is benzimidazol-1-yl(pentyl)azanium;sulfate.
What is the InChI of Bis[1h-benzimidazole-1-pentylammonium]sulfate?
The InChI is InChI=1S/2C12H17N3.H2O4S/c2*1-2-3-6-9-14-15-10-13-11-7-4-5-8-12(11)15;1-5(2,3)4/h2*4-5,7-8,10,14H,2-3,6,9H2,1H3;(H2,1,2,3,4).
What is the InChIKey of Bis[1h-benzimidazole-1-pentylammonium]sulfate?
The InChIKey is ONURNBREDJHPNT-UHFFFAOYSA-N.
What is the canonical SMILES of Bis[1h-benzimidazole-1-pentylammonium]sulfate?
The canonical SMILES is CCCCC[NH2+]N1C=NC2=CC=CC=C21.CCCCC[NH2+]N1C=NC2=CC=CC=C21.[O-]S(=O)(=O)[O-].
How many hydrogen bond donor counts does Bis[1h-benzimidazole-1-pentylammonium]sulfate have?
It has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Bis[1h-benzimidazole-1-pentylammonium]sulfate have?
It has 6 hydrogen bond acceptor counts.
How many rotatable bond counts does Bis[1h-benzimidazole-1-pentylammonium]sulfate have?
It has 10 rotatable bond counts.
What is the topological polar surface area of Bis[1h-benzimidazole-1-pentylammonium]sulfate?
The topological polar surface area is 158 ?2.
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