Methyl 6-methylpiperidine-3-carboxylate
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Basic information
- CAS
908245-03-4- Standard SMILES
COC(=O)C1CCC(C)NC1- InChIKey
AJUGGHOVBBTHCD-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- Methyl 6-methylpiperidine-3-carboxylate
- IUPAC
- methyl 6-methylpiperidine-3-carboxylate
- English name
- 6-Methyl-3piperidinecarboxylic acid Methyl ester
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
Methyl 6-methylpiperidine-3-carboxylate908245-03-4MFCD131788936-methyl-3-piperidinecarboxylic acid methyl ester6-Methyl-piperidine-3-carboxylic acid methyl esterMethyl6-methylpiperidine-3-carboxylate1009376-91-36-methyl-3piperidinecarboxylic acid methyl esterSB20886SB22045methyl cis-2-methylpiperidine-5-carboxylatemethyl (3RS,6RS)-6-methylpiperidine-3-carboxylate
Show more names
ethyl 6-Methylpiperidine-3-carboxylate6-Methyl-piperidinecarboxylic acid Methyl esterMethyl 6-methylpiperidine-3-carboxylate - [M9067]3-Piperidinecarboxylic acid, 6-methyl-, methyl ester
Methyl 6-methylnipecotaterel-(3R,6R)-6-Methylpiperidine-3-carboxylic acid methyl esterSCHEMBL599383(3R,6S)-3-PIPERIDINECARBOXYLIC ACID, 6-METHYL-, METHYL ESTERDTXSID20655258AJUGGHOVBBTHCD-UHFFFAOYSA-NCS1674AKOS016006318
Database identifiers
- CAS
908245-03-4- PubChem CID
- 42628698
- DTXSID
DTXSID20655258
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 205.9 · 205.9±33.0 °C(Predicted)
- Density
- 0.982 · 0.982±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 9.47 · 9.47±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- optical activity
- 0.4 ° · 0.40°(C=0.01g/ml CHCL3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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