Homopentamethylenetetramine
Basic information
- CAS
37391-75-6- Standard SMILES
O=S1(=O)C2CN3CCN(CN1C3)N2- InChIKey
HTDZLTBICKNWLG-UHFFFAOYSA-N- Molecular formula
- C6H12N4O2S
- Average molar mass
- 204.25 g/mol
- Monoisotopic mass
- 204.06809681
Names & identifiers
- Preferred name
- Homopentamethylenetetramine
- IUPAC
- 9λ6-thia-1,3,6,7-tetrazatricyclo[4.3.1.13,8]undecane 9,9-dioxide
Names & synonyms
HomopentamethylenetetramineBRN 00148174-27-00-09580 (Beilstein Handbook Reference)NSC 1728269-Thia-1,3,6,8-tetrazatricyclo(4.3.1.1(sup 3,8))undecane, 9,9-dioxideRefChem:34783837391-75-6
Database identifiers
- CAS
37391-75-6- PubChem CID
- 216504
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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