Basic information
- CAS
139-60-6- Standard SMILES
CCC(C)CC(CC)Nc1ccc(NC(CC)CC(C)CC)cc1- InChIKey
JUHXTONDLXIGGK-UHFFFAOYSA-N- Molecular formula
- C22H40N2
- Average molar mass
- 332.6 g/mol
- Monoisotopic mass
- 332.31914928
Names & identifiers
- Preferred name
- N,N'-bis(1-ethyl-3-methylpentyl)-p-phenylenediamine
- IUPAC
- 1-N,4-N-bis(5-methylheptan-3-yl)benzene-1,4-diamine
- English name
- ANTOZITE 2
- Molecular formula
- C22H40N2
- Molecular weight
- 332.57
Names & synonyms
139-60-6N,N'-Bis(1-ethyl-3-methylpentyl)-p-phenylenediamine1,4-Benzenediamine, N,N'-bis(1-ethyl-3-methylpentyl)-1,4-Benzenediamine, N1,N4-bis(1-ethyl-3-methylpentyl)-76O54M0714N,N-DI-(3-(5-METHYLHEPTYL)-P-PHENYLENEDIAMINE)N1,N4-BIS(1-ETHYL-3-METHYLPENTYL)-1,4-BENZENEDIAMINERefChem:821717205-368-81-N,4-N-bis(5-methylheptan-3-yl)benzene-1,4-diamineEastozone 31Santoflex 17
Show more names
uop88VOP-88tenamene31ANTOZITE 2santoflex17eastozone31elastozone31N,N'-DI-3(5-METHYL)HEPTYL-P-PHENYLENEDIAMINEn,n’-bis(5-methyl-3-heptyl)-p-phenylenediaminen,n’-bis(1-ethyl-3-methylpentyl)-4-benzenediamine
Tenamene 31UOP 88EINECS 205-368-8BRN 2384181N,N'-Bis(5-methyl-3-heptyl)-p-phenylenediaminen,n'-bis(5-methylheptan-3-yl)benzene-1,4-diamineN,N'-Di(1-ethyl-3-methylpentyl)-p-phenylenediamineSCHEMBL39007
Database identifiers
- CAS
139-60-6- PubChem CID
- 94138
- DTXSID
DTXSID3051703- UNII
- 76O54M0714
- EC Number
- 205-368-8
- Nikkaji
- J49.705C
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 459.66 °C · 459.66°C (rough estimate)
- Density
- 0.9929 · 0.9929 (rough estimate)
- refractive index
- 1.762 · 1.7620 (estimate)
- pka
- 8.3 · 8.30±0.50(Predicted)
- Henry's Law Constant
- 5.8 · 5.8×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- FDA UNII
- 76 O54M0714 · 76O54M0714
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, N,N'-bis(1-ethyl-3-methylpentyl)- (139-60-6)
- TSCA
- TSCA listed
- Toxicity
- 50 oral · LD50 oral in rat: 2400mg/kg
Safety & regulation
Hazard information
Regulatory InformationChemical: 1,4-Benzenediamine, N,N'-bis(1-ethyl-3-methylpentyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 oral in rat: 2400mg/kg
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediamine, N1,N4-bis(1-ethyl-3-methylpentyl)-: INACTIVE
Suppliers5 total
杭州品高化工有限公司0571-87658025 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
1 records
Compound notes
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