Basic information
- CAS
1690-75-1- Standard SMILES
COC(=O)C1CCN(C)CC1- InChIKey
KYAOKPRJTMFBTQ-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- Methyl 1-Methyl-4-piperidinecarboxylate
- IUPAC
- methyl 1-methylpiperidine-4-carboxylate
- English name
- N-Methyl-4-piperidinecarboxylic acid methyl ester
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
4-Piperidinecarboxylic acid, 1-methyl-, methyl esterMethyl 1-Methyl-4-piperidinecarboxylateRefChem:812753834-601-1Methyl 1-methylpiperidine-4-carboxylate1690-75-1MFCD06658483N-METHYL-4-PIPERIDINECARBOXYLIC ACID METHYL ESTER1-Methyl-piperidine-4-carboxylic acid methyl esterMethyl N-methyl-4-piperidinecarboxylateMethyl N-methylisonipecotinateMethyl1-methylpiperidine-4-carboxylate
Show more names
1-methylisonipecotic acid methyl esterMethyl N-methylPiperidine-4-carboxylate1N-methyl piperidine-4-carboxylate, methyl esterMethyl-4-piperidine carboxylic acid methyl esterN-METHYLPIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER1-METHYL-4-PIPERIDINECARBOXYLIC ACID METHYL ESTER
BL000686SY016044CS-00200791-methyl-4-piperidinecarboxylic acid, methyl esterPeridine Impurity 15FT-0602459methyl 1-methylisonipecotateA811053
Database identifiers
- CAS
1690-75-1- PubChem CID
- 3616844
- DTXSID
DTXSID70394342- EC Number
- 834-601-1
Properties
Computed structural properties
- XLogP
- 0.6
- 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
- 139
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 202 °C · 202°C(lit.)
- Density
- 1.0806 · 1.0806 (rough estimate)
- refractive index
- 1.452 to · 1.4520 to 1.4560
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 8.43 · 8.43±0.10(Predicted)
- color
- Colorless to Light yellow
- InChI
- InChI=1S/C8H15NO2/c1-9-5-3-7(4-6-9)8(10)11-2/h7H,3-6H2,1-2H3
- InChIKey
- KYAOKPRJTMFBTQ-UHFFFAOYSA-N
- SMILES
- N1(C)CCC(C(OC)=O)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
6 records
Compound notes
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