Basic information
- CAS
20320-44-9- Standard SMILES
O=C(O)c1ccccc1C(=O)N1CCCCC1- InChIKey
BIUIFJPSZVWHIX-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- O-(Piperidinocarbonyl)-benzoic acid
- IUPAC
- 2-(piperidine-1-carbonyl)benzoic acid
- English name
- o-(piperidinocarbonyl)-benzoicaci
- Molecular formula
- C13H15NO3
- Molecular weight
- 233.26
Names & synonyms
o-(Piperidinocarbonyl)benzoic acidBENZOIC ACID, o-(PIPERIDINOCARBONYL)-3M0TMG2SGUBenzoic acid, 2-(1-piperidinylcarbonyl)-2-(1-piperidinylcarbonyl)Benzoic acidNSC 175179BRN 0193956O-(Piperidinocarbonyl)-benzoic acidUNII-3M0TMG2SGUNSC-175179DTXSID801742185-20-02-00474 (Beilstein Handbook Reference)
Show more names
Phthalic acid monopiperidideo-(piperidinocarbonyl)-benzoicaci
RefChem:202347DTXCID709670920320-44-92-(piperidin-1-ylcarbonyl)benzoic acid2-(piperidine-1-carbonyl)benzoic acidMFCD00443957Oprea1_109173Oprea1_173583
Database identifiers
- CAS
20320-44-9- PubChem CID
- 30108
- DTXSID
DTXSID80174218- UNII
- 3M0TMG2SGU
- Nikkaji
- J42.031J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 439.7 · 439.7±28.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.36(Predicted)
- FDA UNII
- 3 M0TMG2SGU · 3M0TMG2SGU
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338+P310
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
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338+P310
Chemistry & industry
Suppliers9 total
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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