Basic information
- CAS
63217-35-6- Standard SMILES
CCCCCCCCCCCCCCCCCCn1c(-c2ccc(N)cc2)nc2cc(S(=O)(=O)O)ccc21- InChIKey
JHHVDPLPBJASDF-UHFFFAOYSA-N- Molecular formula
- C31H47N3O3S
- Average molar mass
- 541.8 g/mol
- Monoisotopic mass
- 541.33381354
Names & identifiers
- Preferred name
- 2-(4-Aminophenyl)-1-octadecyl-1H-benzimidazole-5-sulfonic acid
- IUPAC
- 2-(4-aminophenyl)-1-octadecylbenzimidazole-5-sulfonic acid
- English name
- 2-(4-aminophenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid
- Molecular formula
- C31H47N3O3S
- Molecular weight
- 541.79
Names & synonyms
63217-35-61H-Benzimidazole-5-sulfonic acid, 2-(4-aminophenyl)-1-octadecyl-S83VRS5OT32-(4-aminophenyl)-1-octadecyl-1h-benzimidazole-5-sulfonic acidEINECS 264-028-7UNII-S83VRS5OT3DTXSID6069793RefChem:84333DTXCID8043789264-028-72-(4-Aminophenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acidJHHVDPLPBJASDF-UHFFFAOYSA-N
Show more names
DB-323305NS000353832-(4-Aminophenyl)-1-octadecyl-1H-1,3-benzimidazole-5-sulfonic acid
Database identifiers
- CAS
63217-35-6- PubChem CID
- 113154
- DTXSID
DTXSID6069793- UNII
- S83VRS5OT3
- EC Number
- 264-028-7
- Nikkaji
- J327.035A
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 720
Physicochemical properties
- FDA UNII
- 83 VRS5OT3 · S83VRS5OT3
- EPA Substance Registry System
- 1 H-Benzimidazole-5-sulfonic · 1H-Benzimidazole-5-sulfonic acid, 2-(4-aminophenyl)-1-octadecyl- (63217-35-6)
- 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-Benzimidazole-5-sulfonic acid, 2-(4-aminophenyl)-1-octadecyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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