2-Methylpyrrolidine
Basic information
- CAS
765-38-8- Standard SMILES
CC1CCCN1- InChIKey
RGHPCLZJAFCTIK-UHFFFAOYSA-N- Molecular formula
- C5H11N
- Average molar mass
- 85.15 g/mol
- Monoisotopic mass
- 85.08914935
Overview
2-methylpyrrolidine is a member of the class of pyrrolidines that is pyrrolidine which is substituted by a methyl group at position 2. It has a role as a plant metabolite.
Names & identifiers
- Preferred name
- 2-Methylpyrrolidine
- IUPAC
- 2-methylpyrrolidine
- English name
- 2-Methylpyrrolidine
- Molecular formula
- C5H11N
- Molecular weight
- 85.15
Names & synonyms
2-METHYLPYRROLIDINE765-38-8Pyrrolidine, 2-methyl-CHEBI:145240DTXSID70883347RefChem:88382DTXCID70869429212-144-3MFCD000144912-methyl pyrrolidine2-Methyl-pyrrolidine2-methylpyrolidine
Show more names
RMA-5592-methyl-pyrrolidin2-MethylpyrrolidineHCl2-methyl-1-pyrrolidine2-Methylpyrrolidine,98%2-Methylpyrrolidine, 98% 2GRHydroxychloroquine Impurity 16Hydroxychloroquine Impurity 56
2-methylpyrroldine2-methyl-pyrolidineEINECS 212-144-3rac-2-methyl-pyrrolidinerac.-2-methylpyrrolidine2-(RS)-methylpyrrolidineracemic 2-methylpyrrolidine2-Methylpyrrolidine, 96%
Database identifiers
- CAS
765-38-8- PubChem CID
- 13003
- DTXSID
DTXSID70883347- ChEBI
CHEBI:145240- EC Number
- 212-144-3
- Nikkaji
- J193.131H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 43.2
Physicochemical properties
- Melting point
- -96.37 °C · -96.37°C (estimate)
- Boiling point
- 97 · 97-99 °C/744 mmHg (lit.)
- Density
- 0.834 g/mL · 0.834 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.437(lit.)
- Flash point
- 37 °F · 37 °F
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 10.93 · 10.93±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless to light yellow
- Water Solubility
- soluble
- InChI
- InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3
- InChIKey
- RGHPCLZJAFCTIK-UHFFFAOYSA-N
- SMILES
- N1CCCC1C
- CAS DataBase Reference
- 765 · 765-38-8(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Methylpyrrolidine(765-38-8)
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, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Pyrrolidine, 2-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2924 3/PG 2
- hs_code
- 29339900
- risk_code
- 11-34-22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- F,C
- safety_code
- 16-26-36/37/39-45
- hazard_class
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyrrolidine, 2-methyl-: INACTIVE
Applications
Uses2-Methylpyrrolidine can be used to produce2-(2-methylpyrrolidinyl)benzaldehydeat the temperature of152°C. It is commonly used as organic reagent.
General Description2-Methylpyrrolidine is a substituted pyrrolidine. It is one of the major bioactive compounds found in Teucrium manghuaense. The hydrodenitrogenation of 2-methylpyrrolidine in the presence of sulfided NiMo/γ-Al2O3 catalyst has been studied.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 2-methylpyrrolidine is a member of the class of pyrrolidines that is pyrrolidine which is substituted by a methyl group at position 2. It has a role as a plant metabolite.
Related reactions
284 records
Compound notes
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