Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride
Basic information
- CAS
101914-01-6- Standard SMILES
C=C(Cl)C[N+]12CN3CN(CN(C3)C1)C2.[Cl-]- InChIKey
NQYBHJCRYFEONJ-UHFFFAOYSA-M- Molecular formula
- C9H16Cl2N4
- Average molar mass
- 251.15 g/mol
- Monoisotopic mass
- 250.0752019
Names & identifiers
- Preferred name
- Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride
- IUPAC
- 1-(2-chloroprop-2-enyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride
Names & synonyms
2-Chloroallylhexaminium chloride3-(2-Chloroallyl)hexamethylenetetraminium chloride101914-01-6HEXAMETHYLENETETRAMINIUM, 3-(2-CHLOROALLYL)-, CHLORIDERefChem:347568DTXSID109068221-(2-Chloroprop-2-en-1-yl)-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium chloride
Database identifiers
- CAS
101914-01-6- PubChem CID
- 59113
- DTXSID
DTXSID10906822
Properties
Computed structural properties
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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