1-Methyl-4-oxonipecotic acid methyl ester hydrochloride
Basic information
- CAS
13049-77-9- Standard SMILES
COC(=O)C1C[NH+](C)CCC1=O.[Cl-]- InChIKey
XZHNOMMEHHXDTP-UHFFFAOYSA-N- Molecular formula
- C8H14ClNO3
- Average molar mass
- 207.65 g/mol
- Monoisotopic mass
- 207.066221
Overview
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Names & identifiers
- Preferred name
- 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride
- IUPAC
- methyl 1-methyl-4-oxopiperidin-1-ium-3-carboxylate chloride
- English name
- N-Methyl-3-carbomethoxy-4-piperidone hydrochloride
- Molecular formula
- C8H14ClNO3
- Molecular weight
- 207.65
Names & synonyms
1-Methyl-4-oxonipecotic acid methyl ester hydrochloridemethyl 1-methyl-4-oxopiperidin-1-ium-3-carboxylate;chlorideNIPECOTIC ACID, 1-METHYL-4-OXO-, METHYL ESTER, HYDROCHLORIDE3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester, hydrochlorideNSC 113589AKOS015918418BIO-FARMA BF001130N-METHYL-3-CARBOMETHOXY-4-PIPERIDONE HCL3-CARBOMETHOXY-1-METHYL-4-PIPERIDONE HYDROCHLORIDE1-Methyl-3-carbomethoxy-4-piperidone hydrochloriden-methyl-3-carbomethoxy-4-piperidone hydrochloridenipecoticacid,1-methyl-4-oxo-,methylester,hydrochloride
Show more names
METHYL 1-METHYL-4-OXOPIPERIDINE-3-CARBOXYLATE HYDROCHLORIDEMETHYL 1-METHYL-4-OXO-3-PIPERIDINECARBOXYLATE HYDROCHLORIDEMethyl 1-methyl-4-oxopiperidine-3-carboxylate hydrochloride ,97%
Properties
Computed structural properties
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 165 °C · 165 °C (decomp)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 29339900 · 29339900
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
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 26-36
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
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Compound notes
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