5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid
Basic information
- CAS
301353-36-6- Standard SMILES
O=C(O)c1ccc(CN2CCCCC2)o1- InChIKey
FOMTWLBLESUJEU-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- 5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid
- IUPAC
- 5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
- English name
- 5-PIPERIDIN-1-YLMETHYL-FURAN-2-CARBOXYLIC ACID
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
301353-36-65-(piperidin-1-ylmethyl)furan-2-carboxylic acid5-Piperidin-1-ylmethyl-furan-2-carboxylic acid5-(piperidin-1-ylmethyl)-2-furoic acidMFCD004552695-(1-Piperidylmethyl)furan-2-carboxylic acid5-[(Piperidin-1-yl)methyl]furan-2-carboxylic acid5-(Piperidin-1-ylmethyl)-2-furoic acid hydrochloride5-(piperidylmethyl)furan-2-carboxylic acidTimTec1_006406Oprea1_049053Oprea1_771386
Show more names
AKOS B020865AKOS MSC-0578ART-CHEM-BB B020865TIMTEC-BB SBB0071185-(1-PIPERIDINYLMETHYL)-2-FUROIC ACID5-(1-Piperidinylmethyl)-2-furancarboxylic acid5-(1-piperidin-1-iumylmethyl)-2-furancarboxylate
CBDivE_010796SCHEMBL3585672CHEMBL1625508DTXSID60349568HMS1552D04ALBB-004538BBL012338SBB007118
Database identifiers
- CAS
301353-36-6- PubChem CID
- 653379
- DTXSID
DTXSID60349568- ChEMBL
CHEMBL1625508- EC Number
- 673-820-5
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- form
- solid
- InChI
- 1S/C11H15NO3/c13-11(14)10-5-4-9(15-10)8-12-6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,13,14)
- InChIKey
- FOMTWLBLESUJEU-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccc(CN2CCCCC2)o1
- CAS DataBase Reference
- 301353 · 301353-36-6(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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