Benzyl 2,6-diazaspiro[3.4]octane-6-carboxylate
Basic information
- CAS
1086394-85-5- Standard SMILES
O=C(OCc1ccccc1)N1CCC2(CNC2)C1- InChIKey
UJALRZQHRXFXRD-UHFFFAOYSA-N- Molecular formula
- C14H18N2O2
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.13682782
Names & identifiers
- Preferred name
- Benzyl 2,6-diazaspiro[3.4]octane-6-carboxylate
- IUPAC
- benzyl 2,6-diazaspiro[3.4]octane-6-carboxylate
- English name
- Benzyl 2,6-diazaspiro[3.4]octane-6-carboxylate
- Molecular formula
- C14H18N2O2
- Molecular weight
- 246.3
Names & synonyms
benzyl 2,6-diazaspiro[3.4]octane-6-carboxylate1086394-85-56-Cbz-2,6-diaza-spiro[3.4]octaneMFCD11223549SCHEMBL614422UJALRZQHRXFXRD-UHFFFAOYSA-NDTXSID201173458SB30591DB-307619CS-0450833benzyl2,6-diazaspiro[3.4]octane-6-carboxylateW19071
Show more names
6-CBZ-2,6-DIAZA-SPIRO[3.4]OCTANE(WX101526)
benzyl 2,7-diazaspiro[3.4]octane-7-carboxylate2,6-Diazaspiro[3.4]octane-6-carboxylic acid, phenylmethyl ester
Database identifiers
- CAS
1086394-85-5- PubChem CID
- 66744151
- DTXSID
DTXSID201173458
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 391.7 · 391.7±42.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 10.63 · 10.63±0.20(Predicted)
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
Related reactions
4 records
Compound notes
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