Basic information
- CAS
1248482-40-7- Standard SMILES
Nc1ccnc(NCC2CCC2)c1- InChIKey
CJRORPZWZDHUTG-UHFFFAOYSA-N- Molecular formula
- C10H15N3
- Average molar mass
- 177.25 g/mol
- Monoisotopic mass
- 177.12659749
Names & identifiers
- Preferred name
- N2-(cyclobutylmethyl)pyridine-2,4-diamine
- IUPAC
- 2-N-(cyclobutylmethyl)pyridine-2,4-diamine
- English name
- N2-(cyclobutylmethyl)pyridine-2,4-diamine
- Molecular formula
- C10H15N3
- Molecular weight
- 177.25
Names & synonyms
N2-(cyclobutylmethyl)pyridine-2,4-diamine1248482-40-72-N-(cyclobutylmethyl)pyridine-2,4-diamineAKOS010979686DB-3208192,4-Pyridinediamine, N2-(cyclobutylmethyl)-
Database identifiers
- CAS
1248482-40-7- PubChem CID
- 61710903
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 395.5 · 395.5±27.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 8.78 · 8.78±0.50(Predicted)
Chemistry & industry
Suppliers1 total
郑州药领医药科技有限公司13526569071 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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