1,3-Benzenediamine, N1-(1,1-dimethylethyl)-4-methyl-
Basic information
- CAS
106917-61-7- Standard SMILES
Cc1ccc(NC(C)(C)C)cc1N- InChIKey
JYBTVKOMMYMILH-UHFFFAOYSA-N- Molecular formula
- C11H18N2
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.14699858
Names & identifiers
- Preferred name
- 1,3-Benzenediamine, N1-(1,1-dimethylethyl)-4-methyl-
- IUPAC
- 1-N-tert-butyl-4-methylbenzene-1,3-diamine
Names & synonyms
4-N-tert-Butyl-2,4-toluenediamine1,3-Benzenediamine, N1-(1,1-dimethylethyl)-4-methyl-106917-61-7DTXSID5073036RefChem:412876DTXCID6033033SCHEMBL271790JYBTVKOMMYMILH-UHFFFAOYSA-NAKOS012208573N~1~-tert-Butyl-4-methylbenzene-1,3-diamine
Database identifiers
- CAS
106917-61-7- PubChem CID
- 86270
- DTXSID
DTXSID5073036- Nikkaji
- J1.555.728A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenediamine, N1-(1,1-dimethylethyl)-4-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…