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Basic information
- CAS
697306-52-8- Standard SMILES
CNc1cccc(CNC(=O)OC(C)(C)C)c1- InChIKey
ZQXWQYJMRPGKGM-UHFFFAOYSA-N- Molecular formula
- C13H20N2O2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.15247788
Names & identifiers
- Preferred name
- Tert-butyl 3-(methylamino)benzylcarbamate
- IUPAC
- tert-butyl N-[[3-(methylamino)phenyl]methyl]carbamate
Names & synonyms
697306-52-8tert-Butyl N-{[3-(methylamino)phenyl]methyl}carbamatetert-butyl 3-(methylamino)benzylcarbamatetert-butyl N-[[3-(methylamino)phenyl]methyl]carbamateMFCD22082302tert-butyl (3-(methylamino)benzyl]carbamatetert-butyl [3-(methylamino)benzyl]carbamate3-[(Boc-amino)methyl]-N-methylanilineSCHEMBL731764SCHEMBL31709823ZQXWQYJMRPGKGM-UHFFFAOYSA-NDTXSID301185622
Show more names
BS-35485SY466351EN300-1723017tert-Butyl {[3-(methylamino)phenyl]methyl}carbamatetert-ButylN-{[3-(methylamino)phenyl]methyl}carbamate1,1-Dimethylethyl N-[[3-(methylamino)phenyl]methyl]carbamate
Database identifiers
- CAS
697306-52-8- PubChem CID
- 57763264
- DTXSID
DTXSID301185622
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
5 records
Compound notes
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