Basic information
- CAS
479423-44-4- Standard SMILES
CC(C)(C)OC(=O)/N=C/c1cccc2ccccc12- InChIKey
HEEIHDRBPANCHJ-GZTJUZNOSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- Tert-butyl (naphthalen-1-ylmethylene)carbamate
- IUPAC
- tert-butyl (NE)-N-(naphthalen-1-ylmethylidene)carbamate
- English name
- 1,1-Dimethylethyl N-(1-naphthalenylmethylene)carbamate
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
tert-butyl (naphthalen-1-ylmethylene)carbamate479423-44-4tert-butyl (NE)-N-(naphthalen-1-ylmethylidene)carbamatetert-butyl N-[(E)-(naphthalen-1-yl)methylidene]carbamateCarbamic acid, (1-naphthalenylmethylene)-, 1,1-dimethylethyl esterDTXSID40649053(E)-tert-Butyl(naphthalen-1-ylmethylene)carbamatetert-Butyl [(E)-(naphthalen-1-yl)methylidene]carbamate(E)-tert-Butyl (naphthalen-1-ylMethylene)carbaMatetert-Butyl (e)-(naphthalen-1-ylmethylene)carbamateCarbamic acid, N-(1-naphthalenylmethylene)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
479423-44-4- PubChem CID
- 25199286
- DTXSID
DTXSID40649053- Nikkaji
- J1.837.397A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Boiling point
- 382.3 · 382.3±25.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.11 · -0.11±0.50(Predicted)
Chemistry & industry
Suppliers4 total
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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