3-Propoxybenzamidine
Basic information
- CAS
26130-50-7- Standard SMILES
CCCOc1cccc(C(=N)N)c1- InChIKey
MMPAWUCREHSLHB-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Overview
inhibitor of phosphorylase phosphatase
Names & identifiers
- Preferred name
- 3-Propoxybenzamidine
- IUPAC
- 3-propoxybenzenecarboximidamide
Names & synonyms
3-Propoxybenzamidinem-Propoxybenzamidinemeta-Propoxybenzamidine26130-50-7DTXSID90180764RefChem:95375DTXCID301032553-propoxybenzenecarboximidamideBenzenecarboximidamide, 3-propoxy-SCHEMBL139013533-Propoxybenzene-1-carboximidamideAKOS000177751
Database identifiers
- CAS
26130-50-7- PubChem CID
- 309353
- DTXSID
DTXSID90180764
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…