Basic information
- CAS
427882-96-0- Standard SMILES
Cc1ccc(C(=O)N2CCCCC2C(=O)O)o1- InChIKey
RNCDNDUTGFYJQM-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 1-(5-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
- IUPAC
- 1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
- English name
- 1-(5-METHYL-FURAN-2-CARBONYL)-PIPERIDINE-2-CARBOXYLIC ACID
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acidRefChem:426575820-863-4427882-96-01-(5-Methyl-furan-2-carbonyl)-piperidine-2-carboxylic acid1-(5-methyl-2-furoyl)piperidine-2-carboxylic acidMFCD014608772-piperidinecarboxylic acid, 1-[(5-methyl-2-furanyl)carbonyl]-1-[(5-methyl-2-furyl)carbonyl]piperidine-2-carboxylic acidChemDiv2_001574Cambridge id 6894801Oprea1_595576
Show more names
ST5018508EU-0050443BAS 03814608SMR0002751911-(5-methylfuran-2-carbonyl)pipecolinic acid
Oprea1_653163MLS000715212CHEMBL1471447DTXSID80341468RNCDNDUTGFYJQM-UHFFFAOYSA-NHMS1373H12HMS2726H182-Piperidinecarboxylicacid, 1-[(5-methyl-2-furanyl)carbonyl]-
Database identifiers
- CAS
427882-96-0
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Solubility>35.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers5 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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