Basic information
- CAS
915920-08-0- Standard SMILES
COCCN1CC(C(=O)O)CCC1=O- InChIKey
FVGPDAWXQBRLSV-UHFFFAOYSA-N- Molecular formula
- C9H15NO4
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.10010796
Names & identifiers
- Preferred name
- 1-(2-Methoxyethyl)-6-oxopiperidine-3-carboxylic acid
- IUPAC
- 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
- English name
- CHEMBRDG-BB 4015798
- Molecular formula
- C9H15NO4
- Molecular weight
- 201.22
Names & synonyms
1-(2-Methoxyethyl)-6-oxopiperidine-3-carboxylic acid915920-08-0MFCD08691595DTXSID50672418AKOS011497673BS-38543DA-18521EN300-395691G29871F3095521-(2-Methoxyethyl)-6-oxo-3-piperidinecarboxylic acid1-(2-Methoxyethyl)-6-oxopiperidine-3-carboxylicacid
Show more names
CHEMBRDG-BB 40157983-Piperidinecarboxylic acid, 1-(2-methoxyethyl)-6-oxo-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid(SALTDATA: FREE)
1-(2-methoxyethyl)-6-oxo-piperidine-3-carboxylic acidZ9635615961-(2-Methoxyethyl)-6-oxopiperidine-3-carboxylic acid, AldrichCPR
Database identifiers
- CAS
915920-08-0- PubChem CID
- 45791108
- DTXSID
DTXSID50672418
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 399.7 · 399.7±37.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- form
- solid
- pka
- 4.22 · 4.22±0.20(Predicted)
- InChI
- 1S/C9H15NO4/c1-14-5-4-10-6-7(9(12)13)2-3-8(10)11/h7H,2-6H2,1H3,(H,12,13)
- InChIKey
- FVGPDAWXQBRLSV-UHFFFAOYSA-N
- SMILES
- O=C1N(CCOC)CC(CC1)C(O)=O
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · WGK 3
- Storage Class
- 13 · 13 - Non Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1
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
- wgk
- WGK 3
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Aladdin Scientific[email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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