4-N-butan-2-ylbenzene-1,4-diamine
Basic information
- CAS
10029-30-8- Standard SMILES
CCC(C)Nc1ccc(N)cc1- InChIKey
CMBRHCVQODXRRS-UHFFFAOYSA-N- Molecular formula
- C10H16N2
- Average molar mass
- 164.25 g/mol
- Monoisotopic mass
- 164.13134852
Names & identifiers
- Preferred name
- 4-N-butan-2-ylbenzene-1,4-diamine
- IUPAC
- 4-N-butan-2-ylbenzene-1,4-diamine
- English name
- 1,4-Benzenediamine, N-(1-methylpropyl)-
- Molecular formula
- C10H16N2
- Molecular weight
- 164.25
Names & synonyms
10029-30-84-N-butan-2-ylbenzene-1,4-diamineN1-(sec-butyl)benzene-1,4-diamine1,4-Benzenediamine, N-(1-methylpropyl)-N-(1-METHYLPROPYL)-1,4-BENZENEDIAMINENSC1948871, N-(1-methylpropyl)-N-s-butyl-p-phenylenediamineSCHEMBL249357DTXSID40307747CMBRHCVQODXRRS-UHFFFAOYSA-NAKOS009237005
Show more names
NSC-194887N~1~-(Butan-2-yl)benzene-1,4-diamine1,4-Benzenediamine, N1-(1-methylpropyl)-
Database identifiers
- CAS
10029-30-8- PubChem CID
- 304050
- DTXSID
DTXSID40307747- EC Number
- 691-586-2
- Nikkaji
- J28.422J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 294.5 · 294.5±13.0 °C(Predicted)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- pka
- 6.37 · 6.37±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
Regulatory Information1,4-Benzenediamine, N-(1-methylpropyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Applications
UsesN-(1-Methylpropyl)-1,4-benzenediamine is used as a reactant along with cyanuric chloride (C987695) in the preparation of antiozonants.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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