1-Phenyl-3,3-dimethyltriazene
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Basic information
- CAS
7227-91-0- Standard SMILES
CN(C)N=Nc1ccccc1- InChIKey
LLROQAGEAVDYFP-UHFFFAOYSA-N- Molecular formula
- C8H11N3
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.09529736
Overview
See also: 1-Phenyl-3,3-dimethyltriazene (annotation moved to).
Names & identifiers
- Preferred name
- 1-Phenyl-3,3-dimethyltriazene
- IUPAC
- N-methyl-N-phenyldiazenylmethanamine
- English name
- 3,3-dimethyl-1-phenyltriazene
- Molecular formula
- C8H11N3
- Molecular weight
- 149.19304
Names & synonyms
1-Phenyl-3,3-dimethyltriazene7227-91-03,3-DIMETHYL-1-PHENYLTRIAZENEPDMTN-methyl-N-phenyldiazenylmethanamineTriazene, 3,3-dimethyl-1-phenyl-(1E)-3,3-dimethyl-1-phenyltriaz-1-ene1-Triazene, 3,3-dimethyl-1-phenyl-1-Fenyl-3,3-dimethyltriazinX 119NSC 3094DTXSID5021128
Show more names
PHENYLDIMETHYLTRIAZENEPHENYL-3,3-DIMETHYLTRIAZENE
79R3ZF226YNSC-3094CCRIS 5073,3-dimethyl-1-phenyltriaz-1-ene3,3-Dimethyl-1-phenyl-1-triazeneEINECS 230-627-7BRN 0907506UNII-79R3ZF226Y
Database identifiers
- CAS
7227-91-0- PubChem CID
- 23654
- DTXSID
DTXSID5021128- ChEMBL
CHEMBL1981220、CHEMBL3188118- UNII
- 79R3ZF226Y
- Nikkaji
- J3.423A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
LogP2.59
Physicochemical properties
- Boiling point
- 260.27 °C · 260.27°C (rough estimate)
- Density
- 1.1269 · 1.1269 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- CAS DataBase Reference
- 7227 · 7227-91-0
- FDA UNII
- 79 R3ZF226Y · 79R3ZF226Y
- EPA Substance Registry System
- 1 · 1-Phenyl-3,3-dimethyltriazene (7227-91-0)
- RIDADR
- 2810 · 2810
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 2810
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
General DescriptionClear amber liquid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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