4-Methyl-N,N-bis(1-methylethyl)benzenamine
Basic information
- CAS
7347-28-6- Standard SMILES
Cc1ccc(N(C(C)C)C(C)C)cc1- InChIKey
YHAUWIDCXVQMPN-UHFFFAOYSA-N- Molecular formula
- C13H21N
- Average molar mass
- 191.31 g/mol
- Monoisotopic mass
- 191.16739967
Names & identifiers
- Preferred name
- 4-Methyl-N,N-bis(1-methylethyl)benzenamine
- IUPAC
- 4-methyl-N,N-di(propan-2-yl)aniline
- English name
- N,N-diisopropyl-p-toluidine
- Molecular formula
- C13H21N
- Molecular weight
- 191.31
Names & synonyms
N,N-Diisopropyl-p-toluidine7347-28-64-Methyl-N,N-bis(1-methylethyl)benzenamineDTXSID60223677RefChem:1071127DTXCID90146168230-876-14-methyl-n,n-di(propan-2-yl)aniline4-methyl-N,N-dipropan-2-yl-anilineN,N-DIISOPROPYL-4-METHYLANILINEEINECS 230-876-1N,N-Diisopropyl p-toluidine
Show more names
SCHEMBL81970328DVN45D6XSCHEMBL8180737YHAUWIDCXVQMPN-UHFFFAOYSA-NNS00022739Benzenamine, 4-methyl-N,N-bis(1-methylethyl)-
Database identifiers
- CAS
7347-28-6- PubChem CID
- 81806
- DTXSID
DTXSID60223677- UNII
- 28DVN45D6X
- EC Number
- 230-876-1
- Nikkaji
- J212.349E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 110 °C · 110 °C(Press: 14 Torr)
- Density
- 0.908 · 0.908±0.06 g/cm3(Predicted)
- pka
- 8.56 · 8.56±0.32(Predicted)
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Related reactions
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Compound notes
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