Basic information
- CAS
39563-50-3- Standard SMILES
CCCCCCC(C)Nc1ccc(N)cc1- InChIKey
ZEZSYLKJRJYGEQ-UHFFFAOYSA-N- Molecular formula
- C14H24N2
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.19394877
Names & identifiers
- Preferred name
- N-(2-Octyl)-p-phenylenediamine
- IUPAC
- 4-N-octan-2-ylbenzene-1,4-diamine
- English name
- N-(1-Methylheptyl)-1,4-benzenediamine
- Molecular formula
- C14H24N2
- Molecular weight
- 220.35
Names & synonyms
N-(2-Octyl)-p-phenylenediamine39563-50-31,4-Benzenediamine, N-(1-methylheptyl)-DTXSID00342795RefChem:360971DTXCID60293875ZEZSYLKJRJYGEQ-UHFFFAOYSA-NSCHEMBL2878715AKOS006145827N~1~-(Octan-2-yl)benzene-1,4-diamineN-(1-Methylheptyl)-1,4-benzenediamine1,4-Benzenediamine, N1-(1-methylheptyl)-
Database identifiers
- CAS
39563-50-3- PubChem CID
- 584493
- DTXSID
DTXSID00342795- EC Number
- 695-668-9
- Nikkaji
- J102.733F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 80 · 80-82 °C(Press: 20 Torr)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- pka
- 6.33 · 6.33±0.10(Predicted)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
3 records
Compound notes
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