CID 45088608
Completing data — refresh the page later to see the latest
Basic information
- CAS
566913-24-4- Standard SMILES
OCN1CCNCCNCC1- InChIKey
RACZBKFPYLSHOV-UHFFFAOYSA-N- Molecular formula
- C7H17N3O
- Average molar mass
- 159.23 g/mol
Names & identifiers
- Preferred name
- CID 45088608
- IUPAC
- 1,4,7-triazonan-1-ylmethanol
- English name
- 1H-1,4,7-Triazonine-1-methanol,octahydro-(9CI)
- Molecular formula
- C7H17N3O
- Molecular weight
- 159.23
Names & synonyms
566913-24-41,4,7-TRIAZONAN-1-YLMETHANOLDB-2259391H-1,4,7-Triazonine-1-methanol, octahydro-1H-1,4,7-Triazonine-1-methanol,octahydro-(9CI)
Database identifiers
- CAS
566913-24-4
Properties
Computed structural propertiesFilling in
- XLogP
- -1.4
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 89.7
Physicochemical properties
- Boiling point
- 289.4 · 289.4±30.0 °C(Predicted)
- Density
- 0.986 · 0.986±0.06 g/cm3(Predicted)
- pka
- 14.59 · 14.59±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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