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Ethyl 1-Methylpipecolate - >97.0%(T), high purity , CAS No.30727-18-5
Basic Description
Synonyms | Ethyl1-methylpipecolinate | W-106931 | 1-Methyl-2-piperidinecarboxylic Acid Ethyl Ester | AKOS016050386 | EN300-20571 | Ethyl N-methylpipecolinate | A820584 | AKOS000119936 | FT-0625837 | SY023682 | Ethyl 1-methyl-2-piperidinecarboxylate # | dl-1-Methylpi |
Specifications & Purity | ≥97%(T) |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504759284 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759284 |
IUPAC Name | ethyl 1-methylpiperidine-2-carboxylate |
INCHI | InChI=1S/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3 |
InChi Key | ZICBNHLULHJETL-UHFFFAOYSA-N |
Canonical SMILES | CCOC(=O)C1CCCCN1C |
Isomeric SMILES | CCOC(=O)C1CCCCN1C |
PubChem CID | 566742 |
Molecular Weight | 171.24 |
Beilstein | 22(5)1,223 |
Reaxy-Rn | 122328 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index | 1.45 |
Flash Point(°C) | 74°C |
Boil Point(°C) | 95 °C/16 mmHg |
Molecular Weight | 171.240 g/mol |
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XLogP3 | 1.400 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 3 |
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Exact Mass | 171.126 Da |
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Monoisotopic Mass | 171.126 Da |
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Topological Polar Surface Area | 29.500 Ų |
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Heavy Atom Count | 12 |
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Formal Charge | 0 |
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Complexity | 159.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 1 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS05 |
Signal | Danger |
Hazard Statements | H314:Causes severe skin burns and eye damage |
Precautionary Statements | P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P363:Wash contaminated clothing before reuse. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes. P316:Get emergency medical help immediately. |
Reaxy-Rn | 122328 |
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