Basic information
- CAS
86120-58-3- Standard SMILES
NCCCC(N)C(F)F- InChIKey
PUAMHXQPUKPWSJ-UHFFFAOYSA-N- Molecular formula
- C5H12F2N2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.09685472
Names & identifiers
- Preferred name
- alpha-Difluoromethylputrescine
- IUPAC
- 5,5-difluoropentane-1,4-diamine
- English name
- alpha-difluoromethylputrescine
- Molecular formula
- C5H12F2N2
- Molecular weight
- 138.16
Names & synonyms
ADFMP86120-58-3alpha-Difluoromethylputrescine1,4-Pentanediamine, 5,5-difluoro-RefChem:1112195,5-difluoropentane-1,4-diamine5,5-Difluoro-1,4-pentanediamineCHEMBL39264a-difluoromethylputrescineSCHEMBL7199328PUAMHXQPUKPWSJ-UHFFFAOYSA-NDTXSID601006615
Show more names
5,5-Difluoro-pentane-1,4-diamineBDBM50028194AKOS006363502
Database identifiers
- CAS
86120-58-3- PubChem CID
- 135151
- DTXSID
DTXSID601006615- ChEMBL
CHEMBL39264
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 68
Physicochemical properties
- Boiling point
- 214.8 · 214.8±40.0 °C(Predicted)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- pka
- 10.14 · 10.14±0.10(Predicted)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances and drugs that inhibit or block the activity of ORNITHINE DECARBOXYLASE.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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