N,N-DiBoc-4-methylaniline
Basic information
- CAS
1623005-34-4- Standard SMILES
Cc1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1- InChIKey
HXRZMERTWHZONI-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17835828
Names & identifiers
- Preferred name
- N,N-DiBoc-4-methylaniline
- IUPAC
- tert-butyl N-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
- English name
- N,N-DiBoc-4-methylaniline
- Molecular formula
- C17H25NO4
- Molecular weight
- 307.38
Names & synonyms
N,N-DiBoc-4-methylaniline1623005-34-4tert-butyl N-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamateMFCD30188805AKOS030623197DS-19968O12003tert-butyl N-tert-butoxycarbonyl-N-(p-tolyl)carbamateImidodicarbonic acid, 2-(4-methylphenyl)-, 1,3-bis(1,1-dimethylethyl) ester
Database identifiers
- CAS
1623005-34-4- PubChem CID
- 121231857
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 378.1 · 378.1±35.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- pka
- -0.22 · -0.22±0.50(Predicted)
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Compound notes
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