Hexamethylenetetraminium, 1-(2-thenyl)-, chloride
Basic information
- CAS
6296-08-8- Standard SMILES
[Cl-].c1csc(C[N+]23CN4CN(CN(C4)C2)C3)c1- InChIKey
JTQYWCBXUPIISX-UHFFFAOYSA-M- Molecular formula
- C11H17ClN4S
- Average molar mass
- 272.8 g/mol
- Monoisotopic mass
- 272.0862454
Names & identifiers
- Preferred name
- Hexamethylenetetraminium, 1-(2-thenyl)-, chloride
- IUPAC
- 1-(thiophen-2-ylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride
Names & synonyms
6296-08-81-(2-Thenyl)hexamethylenetetrammonium chloride3,5,7-Triaza-1-azoniaadamantane, 1-(2-thienyl)-, chlorideNSC 30209NSC 49660HEXAMETHYLENETETRAMINIUM, 1-(2-THENYL)-, CHLORIDERefChem:347567E99N6YR2UANSC49660NSC-30209NSC-49660UNII-E99N6YR2UA
Show more names
CHEMBL1969342DTXSID70978808NSC30209Hexamethylenetetramine, 2-(chloromethyl)-PD0114323,7-Triaza-1-azoniaadamantane (8CI), 1-(2-thienyl)-, chloride1-[(Thiophen-2-yl)methyl]-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium chloride3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(2-thienylmethyl)-, chloride (1:1)
Database identifiers
- CAS
6296-08-8- PubChem CID
- 22730
- DTXSID
DTXSID70978808- ChEMBL
CHEMBL1969342- UNII
- E99N6YR2UA
Properties
Computed structural properties
- Topological polar surface area
- 38 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
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Related reactions
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Compound notes
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