Basic information
- CAS
3038-42-4- Standard SMILES
CCCCCCCCN=C(N)N- InChIKey
XPYXSZDENRDLKD-UHFFFAOYSA-N- Molecular formula
- C9H21N3
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.17354768
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Octylguanidine
- IUPAC
- 2-octylguanidine
- English name
- octylguanidine
- Molecular formula
- C9H21N3
- Molecular weight
- 171.28
Names & synonyms
Octylguanidine3038-42-4DTXSID40184459RefChem:928132DTXCID00106950N-octylguanidinen-Octyl guanidineGuanidine, octyl-N''-OctylguanidineN''-Octylguanidine #SCHEMBL93899CHEMBL440685
Show more names
Guanidine, N-octyl-
SCHEMBL1138747SCHEMBL1795109SCHEMBL9252230SCHEMBL9252238XPYXSZDENRDLKD-UHFFFAOYSA-NU4G
Database identifiers
- CAS
3038-42-4- PubChem CID
- 30622
- DTXSID
DTXSID40184459- ChEMBL
CHEMBL440685- Nikkaji
- J312.503C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 250 · 250.0±23.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- pka
- 14.01 · 14.01±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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