Tert-butyl naphthalen-1-ylcarbamate
Basic information
- CAS
72594-62-8- Standard SMILES
CC(C)(C)OC(=O)Nc1cccc2ccccc12- InChIKey
SCDGPDBWNRGGIX-UHFFFAOYSA-N- Molecular formula
- C15H17NO2
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.12592879
Names & identifiers
- Preferred name
- Tert-butyl naphthalen-1-ylcarbamate
- IUPAC
- tert-butyl N-naphthalen-1-ylcarbamate
- English name
- tert-butyl naphthalen-1-ylcarbamate
- Molecular formula
- C15H17NO2
- Molecular weight
- 243.3
Names & synonyms
tert-butyl naphthalen-1-ylcarbamate72594-62-8DTXSID60406842RefChem:383816DTXCID703576941-(N-BOC-Amino)naphthalenetert-butyl N-naphthalen-1-ylcarbamateMFCD07127697TERT-BUTYL N-(NAPHTHALEN-1-YL)CARBAMATEN-Boc-1-naphthalenaminetert-Butylnaphthalen-1-ylcarbamatea-Naphthyl-tert.-butylurethan
Show more names
naphthalene-1-ylaminomacetic acidtertbutyl esterCarbamic acid, N-1-naphthalenyl-, 1,1-dimethylethyl ester
SCHEMBL2396852Carbamic acid, 1-naphthalenyl-, 1,1-dimethylethyl esterSCHEMBL27820227tert-butyl N-(1-naphthyl)carbamateSTL256160AKOS003477474BS-18013SY317239
Database identifiers
- CAS
72594-62-8- PubChem CID
- 4935441
- DTXSID
DTXSID60406842- Nikkaji
- J2.356.422J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 95 °C · 95 °C
- Boiling point
- 335.5 · 335.5±11.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.86 · 13.86±0.30(Predicted)
- Appearance
- Off-white to gray Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P304-P321-P330-P362-P302+P352-P305+P351+P338-P403-P405-P501
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
- P233-P260-P261-P264-P270-P271-P280-P304-P321-P330-P362-P302+P352-P305+P351+P338-P403-P405-P501
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Compound notes
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