Basic information
- CAS
21600-43-1- Standard SMILES
CCN(CC)N=Nc1cccnc1- InChIKey
MCAIXMIIMYVJOQ-UHFFFAOYSA-N- Molecular formula
- C9H14N4
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.12184646
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-(3-Pyridyl)-3,3-diethyltriazene
- IUPAC
- N-ethyl-N-(pyridin-3-yldiazenyl)ethanamine
- English name
- 1-(3-pyridyl)-3,3-diethyltriazene
- Molecular formula
- C9H14N4
- Molecular weight
- 178.23
Names & synonyms
1-(3-Pyridyl)-3,3-diethyltriazene21600-43-1DTXSID101030803PYDATRefChem:907300DTXCID001515872N-ethyl-N-(pyridin-3-yldiazenyl)ethanamine3,3-Diethyl-1-(3-pyridyl)-triazenem-Pyridyl-diethyl-triazene3,3-Diethyl-1-(3-pyridyl)triazene1-Pyridyl-3,3-diethyltriazene3,3-Diethyl-1-(m-pyridyl)triazene
Show more names
PYDTPYRIDYL-DIETHYLTRIAZENE1-(PYRIDYL)-3,3-DIETHYLTRIAZENE3-(3,3-Diethyl-1-triazeno)pyridinePyridine, 3-(3,3-diethyl-1-triazen-1-yl)-
1-(Pyridyl-3)-3,3-diethyltriazeneNSC136068NSC 136068BRN 0389220Triazene, 3,3-diethyl-1-(m-pyridyl)-Pyridine, 3-(3,3-diethyl-1-triazeno)-Pyridine, 3-(3,3-diethyl-1-triazenyl)-1-(Pyridyl-3-)-3,3-diaethyl-triazen [German]
Database identifiers
- CAS
21600-43-1- PubChem CID
- 88964
- DTXSID
DTXSID101030803
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 300.47 °C · 300.47°C (rough estimate)
- Density
- 1.1497 · 1.1497 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- pka
- 5.338 · 5.338±0.12(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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