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Substance Name: Nipecotic acid
RN: 498-95-3
UNII: 1U1QTN40SY
InChIKey: XJLSEXAGTJCILF-UHFFFAOYSA-N
Molecular Formula
- C6-H11-N-O2
Molecular Weight
- 129.158
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Names and Synonyms
Name of Substance
- Nipecotic acid
Synonyms
- EINECS 207-873-9
- UNII-1U1QTN40SY
Systematic Name
- Piperidine-3-carboxylic acid
Registry Numbers
CAS Registry Number
- 498-95-3
FDA UNII
- 1U1QTN40SY
System Generated Number
- 0000498953
Structure Descriptors
InChI
1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)InChIKey
XJLSEXAGTJCILF-UHFFFAOYSA-NSmiles
OC(=O)Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 261 dec | deg C | EXP | |
| pKa Dissociation Constant | 3.45 | (none) | EXP | |
| log P (octanol-water) | -2.89E+00 | (none) | EXP | |
| Water Solubility | 2.32E+05 | mg/L | 25 | EST |
| Vapor Pressure | 1.75E-09 | mm Hg | 25 | EST |
| Henry's Law Constant | 1.28E-10 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 8.99E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.