Basic information
- CAS
69081-83-0- Standard SMILES
CCN1CCCCC1C(=O)O- InChIKey
YTPIYJQYZRVUHW-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- 1-Ethylpiperidine-2-carboxylic acid
- IUPAC
- 1-ethylpiperidine-2-carboxylic acid
- English name
- 1-Ethyl-piperidine-2-carboxylic acid
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
69081-83-01-ethylpiperidine-2-carboxylic acidDTXSID50621547RefChem:230404DTXCID305723011-ETHYL-PIPERIDINE-2-CARBOXYLIC ACID1-ethyl-2-piperidinecarboxylic acidMFCD080593122-Piperidinecarboxylic acid, 1-ethyl-1-Ethylpiperidine-2-carboxylicacidethyl pipecolic acidSCHEMBL315372
Show more names
1-ethylpipecolinic acid1-ethylpiperidine-2-carboxylic acid(SALTDATA: HCl)
YTPIYJQYZRVUHW-UHFFFAOYSA-NALBB-027380AKOS009484549SB38343LS-09404DB-074119CS-0298525EN300-58809
Database identifiers
- CAS
69081-83-0- PubChem CID
- 22016545
- DTXSID
DTXSID50621547
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 262.7 · 262.7±33.0 °C(Predicted)
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- pka
- 2.45 · 2.45±0.20(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41
- Safety Statements
- 26 · 26-39
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
- risk_code
- 22-37/38-41
- hazard_code
- Xn
- safety_code
- 26-39
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海智乾生物科技有限公司[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
四川蓝励医药科技有限公司028-61186658 15881182642 · [email protected]
Related reactions
4 records
Compound notes
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