2-Methylpiperidine
Basic information
- CAS
109-05-7- Standard SMILES
CC1CCCCN1- InChIKey
NNWUEBIEOFQMSS-UHFFFAOYSA-N- Molecular formula
- C6H13N
- Average molar mass
- 99.17 g/mol
- Monoisotopic mass
- 99.10479942
Overview
2-Methylpiperidine is a member of piperidines.
Names & identifiers
- Preferred name
- 2-Methylpiperidine
- IUPAC
- 2-methylpiperidine
- English name
- 2-Methylpiperidine
- Molecular formula
- C6H13N
- Molecular weight
- 99.17
Names & synonyms
2-METHYLPIPERIDINE109-05-72-PipecolinePiperidine, 2-methyl-alpha-Pipecolinealpha-MethylpiperidineNSC-3104722E509663BFEMA NO. 4244DTXSID90861728RefChem:88370DTXCID30810614
Show more names
2PPCD-A-PIPECOLINEPipecoline,98%2-METHYL-PERIDINEAKOS BBS-00003594
203-642-1Pipicolinealpha-PipecolinPIPECOLINE, ALPHA2-Methyl-piperidine.alpha.-Methylpiperidine.alpha.-Pipecolin.alpha.-Pipecoline
Database identifiers
- CAS
109-05-7- PubChem CID
- 7974
- DTXSID
DTXSID90861728- ChEMBL
CHEMBL21454- ChEBI
CHEBI:186840- UNII
- 22E509663B
- EC Number
- 203-642-1
- Nikkaji
- J5.086E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 52.1
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.838-0.844
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in water
Soluble (in ethanol)
Boiling Point
117.00 to 119.00 °C. @ 760.00 mm Hg
118 °C
Refractive Index1.442-1.448
Physical DescriptionColourless to yellow liquid; Pepper-like aroma
Physicochemical properties
- Melting point
- -4 · -4--5 °C
- Boiling point
- 118 °C · 118 °C
- Density
- 0.84 · 0.84
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Piperidine, 2-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Piperidine, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TN1240000
- ridadr
- UN 1993 3/PG 2
- hs_code
- 2933399090
- risk_code
- 11-36/37/38-34-22-41-37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPiperidine, 2-methyl-: ACTIVE
Applications
Uses2-Methylpiperidine, is used for the oxidation of secondary amines to nitrones by means of H2O2 catalyzed by Sodium tungsten oxide dihydrate.
UsesReactant for C-2 arylation of piperidines through directed transition metal-catalyzed sp3 C-H activationReactant for synthesis of:Azepan-4-ones via two step [5+2] annulation2-AminobenzoxazolesUnsymmetrically substituted ureasCorticotropin-releasing factor receptor type 1 antagonistsGefitinib analogues with anti-tumor activity
Additional notes
DefinitionChEBI: 2-Methylpiperidine is a member of piperidines.
Related reactions
128 records
Compound notes
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