Basic information
- CAS
2883-60-5- Standard SMILES
Nc1ccncc1NCCc1ccccc1- InChIKey
ZCMIOMUVKRVROU-UHFFFAOYSA-N- Molecular formula
- C13H15N3
- Average molar mass
- 213.28 g/mol
- Monoisotopic mass
- 213.12659749
Names & identifiers
- Preferred name
- Pyridine, 4-amino-3-phenethylamino-
- IUPAC
- 3-N-(2-phenylethyl)pyridine-3,4-diamine
- English name
- 3-(Phenethylamino)pyridin-4-amine
- Molecular formula
- C13H15N3
- Molecular weight
- 213.28
Names & synonyms
4-Amino-3-phenethylaminopyridine2883-60-5Pyridine, 4-amino-3-phenethylamino-BRN 0396206DTXSID20183021RefChem:376844DTXCID301055123-N-(2-phenylethyl)pyridine-3,4-diamine3-(Phenethylamino)pyridin-4-amineN~3~-(2-Phenylethyl)pyridine-3,4-diamine3,4-Pyridinediamine, N3-(2-phenylethyl)-
Database identifiers
- CAS
2883-60-5- PubChem CID
- 76154
- DTXSID
DTXSID20183021- Nikkaji
- J51.283D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 125 °C · 125 °C
- Boiling point
- 451.7 · 451.7±40.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 9.14 · 9.14±0.18(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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