Basic information
- CAS
167276-68-8- Standard SMILES
N=C(N)CCCCCCCC(=N)N- InChIKey
VXVSKFUJWKPOTA-UHFFFAOYSA-N- Molecular formula
- C9H20N4
- Average molar mass
- 184.28 g/mol
- Monoisotopic mass
- 184.16879665
Names & identifiers
- Preferred name
- Nonanediimidamide
- IUPAC
- nonanediimidamide
- English name
- 1,7-DIAMIDINOHEPTANE
- Molecular formula
- C9H20N4
- Molecular weight
- 184.28
Names & synonyms
Nonanediimidamide167276-68-8CHEMBL1055741,7-DIAMIDINOHEPTANESCHEMBL31541184DTXSID70275480BDBM50032496AKOS006295194Nonanebis(imidamide)
Database identifiers
- CAS
167276-68-8- PubChem CID
- 45181
- DTXSID
DTXSID70275480- ChEMBL
CHEMBL105574
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 316.1 · 316.1±52.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 13 · 13.00±0.40(Predicted)
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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