Methyl 1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylate
Basic information
- CAS
59097-06-2- Standard SMILES
COC(=O)C1=CCN(C)CC1- InChIKey
SVXZBICQLNEMLC-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Names & identifiers
- Preferred name
- Methyl 1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylate
- IUPAC
- methyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
- English name
- Methyl1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylate
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19
Names & synonyms
methyl 1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylate59097-06-2RefChem:812733107-781-8methyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylateMFCD052372384-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1-methyl-, methyl estermethyl1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylateIsoarecolineSCHEMBL4516930SVXZBICQLNEMLC-UHFFFAOYSA-NDTXSID601384338
Show more names
1-Methyl-1,2,3,6-tetrahydro-pyridine-4-carboxylic acid methyl ester
JCA09706AKOS026675039GG-0063SY180625CS-0161801EN300-64462E76347methyl 1,2,3,6-tetrahydro-1-methylisonicotinate
Database identifiers
- CAS
59097-06-2- PubChem CID
- 40462
- DTXSID
DTXSID601384338- EC Number
- 107-781-8
- Nikkaji
- J533.016E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 75 °C · 75 °C(Press: 8.5 Torr)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 8.03 · 8.03±0.40(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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