Basic information
- CAS
36719-71-8- Standard SMILES
c1ccc(N=NN2CCCC2)cc1- InChIKey
DRVHPVUGSNNFAR-UHFFFAOYSA-N- Molecular formula
- C10H13N3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.11094743
Names & identifiers
- Preferred name
- 1-[(e)-Phenyldiazenyl]pyrrolidine
- IUPAC
- phenyl(pyrrolidin-1-yl)diazene
- English name
- Pyrrolidine,1-(2-phenyldiazenyl)-
- Molecular formula
- C10H13N3
- Molecular weight
- 175.23
Names & synonyms
36719-71-81-[(e)-phenyldiazenyl]pyrrolidineNSC440841-(phenyldiazenyl)pyrrolidineCHEMBL584804SCHEMBL6093250SCHEMBL6093254DTXSID60286181(E)-1-(phenyldiazenyl)pyrrolidine(E)-phenyl(pyrrolidin-1-yl)diazeneNSC-44084Pyrrolidine,1-(2-phenyldiazenyl)-
Show more names
1-phenyl-2-(pyrrolidin-1-yl)diazene
Database identifiers
- CAS
36719-71-8- PubChem CID
- 239207
- DTXSID
DTXSID60286181- ChEMBL
CHEMBL584804- Nikkaji
- J533.413F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 51 · 51-52 °C
- Boiling point
- 262.028 · 262.028±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.118 · 1.118±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.99 · 1.990±0.20(predicted)
Chemistry & industry
Suppliers1 total
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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