1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-
Basic information
- CAS
106917-60-6- Standard SMILES
Cc1ccc(N)cc1NC(C)(C)C- InChIKey
LQIOQITTZDEHKW-UHFFFAOYSA-N- Molecular formula
- C11H18N2
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.14699858
Names & identifiers
- Preferred name
- 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-
- IUPAC
- 3-N-tert-butyl-4-methylbenzene-1,3-diamine
Names & synonyms
2-N-tert-Butyl-2,4-toluenediamine1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-106917-60-6DTXSID0073035RefChem:412879DTXCID1033032SCHEMBL9750979LQIOQITTZDEHKW-UHFFFAOYSA-NAKOS011882296N~3~-tert-Butyl-4-methylbenzene-1,3-diamine
Database identifiers
- CAS
106917-60-6- PubChem CID
- 86269
- DTXSID
DTXSID0073035- Nikkaji
- J1.595.422A
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, N3-(1,1-dimethylethyl)-4-methyl-: INACTIVE
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Related reactions
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Compound notes
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