Basic information
- CAS
106917-65-1- Standard SMILES
Cc1c(N)cccc1NC(C)(C)C- InChIKey
BSKTXZVFRLLJML-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)-2-methyl-
- IUPAC
- 3-N-tert-butyl-2-methylbenzene-1,3-diamine
Names & synonyms
2-N-tert-Butyl-2,6-toluenediamine1,3-Benzenediamine, N1-(1,1-dimethylethyl)-2-methyl-RefChem:412875106917-65-11,3-Benzenediamine, N-(1,1-dimethylethyl)-2-methyl-DTXSID0073039SCHEMBL10701187BSKTXZVFRLLJML-UHFFFAOYSA-NAKOS012377376N~1~-tert-Butyl-2-methylbenzene-1,3-diamine
Database identifiers
- CAS
106917-65-1- PubChem CID
- 86273
- DTXSID
DTXSID0073039- Nikkaji
- J1.555.732J
Properties
Computed structural properties
- XLogP
- 2.6
- 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)-2-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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