Basic information
- CAS
21600-45-3- Standard SMILES
CN(CCO)N=Nc1ccccc1- InChIKey
UTOPHVHLAPIZON-UHFFFAOYSA-N- Molecular formula
- C9H13N3O
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.10586205
Names & identifiers
- Preferred name
- Ethanol, 2-(1-methyl-3-phenyl-2-triazenyl)-
- IUPAC
- 2-[methyl(phenyldiazenyl)amino]ethanol
- English name
- 1-Phenyl-3-methyl-3-(2-hydroxy-ethyl)triazene
- Molecular formula
- C9H13N3O
- Molecular weight
- 179.22
Names & synonyms
Ethanol, 2-(1-methyl-3-phenyl-2-triazenyl)-21600-45-32-[methyl(phenyldiazenyl)amino]ethanolXFS87MTU2U1-Phenyl-3-methyl-3-(2-hydroxyethyl)triazene3-(2-Hydroxyethyl)-3-methyl-1-phenyltriazene3-Methyl-3-(2-hydroxyethyl)-1-phenyltriazeneEthanol, 2-(1-methyl-3-phenyl-2-triazeno)-Triazene, 3-(2-hydroxyethyl)-3-methyl-1-phenyl-NSC-136062NSC-1800392-(METHYL(PHENYLDIAZENYL)AMINO)ETHANOL
Show more names
2-(1-Methyl-3-phenyl-2-triazeno)ethanol1-Phenyl-3-methyl-3-(2-hydroxy-ethyl)triazeneEthanol, 2-(1-methyl-3-phenyl-2-triazen-1-yl)-
NSC136062NSC 136062BRN 1841720UNII-XFS87MTU2UCHEMBL3250820SCHEMBL132522401-Phenyl-3-methyl-3-(2-hydroxyaethyl)-triazen [German]DTXSID50879561
Database identifiers
- CAS
21600-45-3- PubChem CID
- 88965
- DTXSID
DTXSID50879561- ChEMBL
CHEMBL3250820- UNII
- XFS87MTU2U
- Nikkaji
- J36.533E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
LogP1.71
Physicochemical properties
- Boiling point
- 311.75 °C · 311.75°C (rough estimate)
- Density
- 1.1305 · 1.1305 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- FDA UNII
- 87 MTU2U · XFS87MTU2U
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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