1H-Benzimidazolesulfonic acid, 2-heptadecyl-
Basic information
- CAS
68228-08-0- Standard SMILES
CCCCCCCCCCCCCCCCCc1nc2c(S(=O)(=O)O)cccc2[nH]1- InChIKey
GVEWSRRMMSIZTQ-UHFFFAOYSA-N- Molecular formula
- C24H40N2O3S
- Average molar mass
- 436.7 g/mol
- Monoisotopic mass
- 436.27596432
Names & identifiers
- Preferred name
- 1H-Benzimidazolesulfonic acid, 2-heptadecyl-
- IUPAC
- 2-heptadecyl-1H-benzimidazole-4-sulfonic acid
- English name
- 2-heptadecyl-1H-benzimidazolesulphonic acid
- Molecular formula
- C24H40N2O3S
- Molecular weight
- 436.651
Names & synonyms
1H-Benzimidazolesulfonic acid, 2-heptadecyl-2-Heptadecylbenzimidazolesulfonic acidEINECS 269-403-9RefChem:43812268228-08-02-Heptadecyl-1H-benzimidazolesulphonic acidSCHEMBL3162301SCHEMBL3417310NS00122425
Database identifiers
- CAS
68228-08-0- PubChem CID
- 109864
- EC Number
- 269-403-9
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 535
Physicochemical properties
- EPA Substance Registry System
- 1 H-Benzimidazolesulfonic · 1H-Benzimidazolesulfonic acid, 2-heptadecyl- (68228-08-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benzimidazolesulfonic acid, 2-heptadecyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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