Basic information
- CAS
13056-98-9- Standard SMILES
CCN(CC)N=Nc1ccccc1- InChIKey
JHPQXSWFRNIFCC-UHFFFAOYSA-N- Molecular formula
- C10H15N3
- Average molar mass
- 177.25 g/mol
- Monoisotopic mass
- 177.12659749
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-Phenyl-3,3-diethyltriazene
- IUPAC
- N-ethyl-N-phenyldiazenylethanamine
- English name
- 1-(3-phenyl)-3,3-diethyltriazene
- Molecular formula
- C10H15N3
- Molecular weight
- 177.25
Names & synonyms
1-Phenyl-3,3-diethyltriazene13056-98-91-(3-Phenyl)-3,3-diethyltriazeneDTXSID801030280PHDATRefChem:233127DTXCID6015153753,3-Diethyl-1-phenyltriazene1-Fenyl-3,3-diethyltriazen1-Phenyl-3,3-diaethyltriazen6KCK8P2Q5GNSC-136059
Show more names
Triazene, 3,3-diethyl-1-phenyl-1-Fenyl-3,3-diethyltriazen [Czech]1-Triazene, 3,3-diethyl-1-phenyl-NSC 1360591-Phenyl-3,3-diaethyltriazen [German]BRN 1841610NSC136059UNII-6KCK8P2Q5G
Database identifiers
- CAS
13056-98-9- PubChem CID
- 83091
- DTXSID
DTXSID801030280- UNII
- 6KCK8P2Q5G
- Nikkaji
- J36.528I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 299.18 °C · 299.18°C (rough estimate)
- Density
- 1.094 · 1.0940 (rough estimate)
- refractive index
- 1.625 · 1.6250 (estimate)
- pka
- 1.99 · 1.99±0.70(Predicted)
- FDA UNII
- 6 KCK8P2Q5G · 6KCK8P2Q5G
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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