Basic information
- CAS
439691-94-8- Standard SMILES
CN(Cc1ccc(C=O)cc1)C(=O)OC(C)(C)C- InChIKey
QUQYGPHZIXCARJ-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- tert-Butyl 4-formylbenzyl(methyl)carbamate
- IUPAC
- tert-butyl N-[(4-formylphenyl)methyl]-N-methylcarbamate
- English name
- tert-Butyl 4-formylbenzyl(methyl)carbamate
- Molecular formula
- C14H19NO3
- Molecular weight
- 249.31
Names & synonyms
tert-Butyl 4-formylbenzyl(methyl)carbamate439691-94-8tert-butyl (4-formylbenzyl)(methyl)carbamatetert-butyl (4-formylbenzyl)methylcarbamateSCHEMBL1936823DTXSID50635083MFCD24467137AT38774tert-Butyl4-formylbenzyl(methyl)carbamateSY4747144-[[Boc-(methyl)amino]methyl]benzaldehydeDB-371773
Show more names
Carbamic acid, N-[(4-formylphenyl)methyl]-N-methyl-, 1,1-dimethylethyl ester
tert-Butyl [(4-formylphenyl)methyl]methylcarbamatetert-Butyl [(4-formylphenyl)methyl](methyl)carbamateTERT-BUTYL N-[(4-FORMYLPHENYL)METHYL]-N-METHYLCARBAMATE
Database identifiers
- CAS
439691-94-8- PubChem CID
- 23586366
- DTXSID
DTXSID50635083
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 367.1 · 367.1±21.0 °C(Predicted)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.5 · -1.50±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
韶远科技（上海）有限公司4000665055 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
阿里化学（常州）有限公司19941333411 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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