2-Methyl-1-pyrroline
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Basic information
- CAS
872-32-2- Standard SMILES
CC1=NCCC1- InChIKey
CTSZPNIMMLSKDV-UHFFFAOYSA-N- Molecular formula
- C5H9N
- Average molar mass
- 83.13 g/mol
- Monoisotopic mass
- 83.07349929
Names & identifiers
- Preferred name
- 2-Methyl-1-pyrroline
- IUPAC
- 5-methyl-3,4-dihydro-2H-pyrrole
- English name
- 2-Methyl-1-pyrroline
- Molecular formula
- C5H9N
- Molecular weight
- 83.13
Names & synonyms
2-Methyl-1-pyrroline5-methyl-3,4-dihydro-2H-pyrrole3,4-Dihydro-5-methyl-2H-pyrroleEINECS 212-822-9PUN2A487KLCHEBI:78856DTXSID302361734,5-DIHYDRO-2-METHYL-3H-PYRROLERefChem:88014DTXCID30158664InChI=1/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H872-32-2
Show more names
2-Methylpyrroline2-methyl-1H-pyrroline2-Methyl-1-pyrroline(2H)2-Methyl-1-pyrroline,98%2-Methyl-1-pyrroline 95%2-Methyl-1-pyrroline, 98% 25ML2-Methyl-1-pyrroline≥ 99% (GC)
MFCD001288062H-pyrrole, 3,4-dihydro-5-methyl-3,4-Dihydro-5-methyl-2H-pyrrole;2-Methyl-1-pyrroline;2-Methyl-delta1-pyrroline;4,5-Dihydro-2-methyl-3H-pyrrole;5-Methyl-3,4-dihydro-2H-pyrrole;UNII-PUN2A487KLSCHEMBL648552-Methyl-1-pyrroline, 95%orb1944090orb2900409
Database identifiers
- CAS
872-32-2- PubChem CID
- 70103
- DTXSID
DTXSID30236173- ChEBI
CHEBI:78856- UNII
- PUN2A487KL
- EC Number
- 212-822-9
- Nikkaji
- J45.716G
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 74
Physicochemical properties
- Boiling point
- 104 · 104-105 °C(lit.)
- Density
- 0.878 g/mL · 0.878 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.444(lit.)
- Flash point
- 51 °F · 51 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), Methanol (Sparingly)
- form
- Crystalline Powder and/or Chunks
- pka
- 8.41 · 8.41±0.20(Predicted)
- color
- White to pale yellow to beige
- Water Solubility
- soluble
- InChI
- InChI=1S/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H3
- InChIKey
- CTSZPNIMMLSKDV-UHFFFAOYSA-N
- SMILES
- N1=C(C)CCC1
- CAS DataBase Reference
- 872 · 872-32-2(CAS DataBase Reference)
- FDA UNII
- 2 A487KL · PUN2A487KL
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]；H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (91.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (91.1%)；Eye Irrit. 2 (91.1%)；STOT SE 3 (91.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29339900
- risk_code
- 11-36/37/38-34-/11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
Chemistry & industry
Applications
Uses2-Methyl-1-pyrroline acts as monocyclic imine. It is a pharmaceutical intermediate.
General Description2-Methyl-1-pyrroline, a monocyclic imine, is a pyrroline derivative. It is a five-membered heterocyclic compound having various biological and pharmacological applications. It is formed during the Rh(I) complexes (containing N,N-donor ligands and N,P-donor ligand) immobilized on glassy carbon electrode surfaces catalyzed intramolecular hydroamination of 4-pentyn-1-amine. It reacts with with 2-oxopropanal to afford acetyl-1-pyrroline (AP).
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
6 records
Compound notes
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