Basic information
- CAS
117705-17-6- Standard SMILES
CCC(=O)N1CCC(C(=O)O)CC1- InChIKey
XLUKLCQSTIHHLD-UHFFFAOYSA-N- Molecular formula
- C9H15NO3
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.10519334
Names & identifiers
- Preferred name
- 1-Propionyl-4-piperidinecarboxylic acid
- IUPAC
- 1-propanoylpiperidine-4-carboxylic acid
- English name
- 1-PROPIONYL-4-PIPERIDINECARBOXYLIC ACID
- Molecular formula
- C9H15NO3
- Molecular weight
- 185.22
Names & synonyms
117705-17-61-PROPIONYL-4-PIPERIDINECARBOXYLIC ACIDDTXSID10350649RefChem:235053DTXCID503017161-Propionylpiperidine-4-carboxylic acid1-propanoylpiperidine-4-carboxylic acidMFCD014144494-Piperidinecarboxylic acid, 1-(1-oxopropyl)-TimTec1_004293Oprea1_842182SCHEMBL4259604
Show more names
AKOS BBV-009886OTAVA-BB 1014846UKRORGSYN-BB BBV-0098861-propionylisonipecotic acid1-(1-oxopropyl)-4-piperidinecarboxylic acid1-propionyl-4-piperidinecarboxylic acid(SALTDATA: FREE)
XLUKLCQSTIHHLD-UHFFFAOYSA-NHMS1546D03ALBB-012978STK696190AKOS000129817SB41708NCGC00327040-01LS-04057
Database identifiers
- CAS
117705-17-6- PubChem CID
- 685155
- DTXSID
DTXSID10350649
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 381.4 · 381.4±35.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers11 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
湖州澄博生物科技有限公司13626726938
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
1 records
Compound notes
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