Basic information
- CAS
38860-52-5- Standard SMILES
O=C(ON1CCCCC1)c1ccc([N+](=O)[O-])cc1- InChIKey
PFGDWHVIRPJPAW-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Names & identifiers
- Preferred name
- Benzoic acid, p-nitro-, piperidino ester
- IUPAC
- piperidin-1-yl 4-nitrobenzoate
- English name
- p-Nitrobenzoic acid piperidino ester
- Molecular weight
- 0
Names & synonyms
N-(4-Nitro)benzoyloxypiperidineBRN 125520438860-52-5BENZOIC ACID, p-NITRO-, PIPERIDINO ESTER5-20-03-00481 (Beilstein Handbook Reference)RefChem:327955piperidin-1-yl 4-nitrobenzoate1-[(4-Nitrobenzoyl)oxy]piperidineDTXSID60959641p-Nitrobenzoic acid piperidino ester
Database identifiers
- CAS
38860-52-5- PubChem CID
- 38110
- DTXSID
DTXSID60959641- Nikkaji
- J36.030I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 393.38 °C · 393.38°C (rough estimate)
- Density
- 1.2403 · 1.2403 (rough estimate)
- refractive index
- 1.666 · 1.6660 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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