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2-Methyl-1-pyrroline

CAT: 0572-TRC-M305165-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M305165-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
872-32-2
Synonyms
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;
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1993; Packing Group: II
Purity
>95% (GC)
Smiles
CC1=NCCC1
Molecular Formula
C5H9N
Molecular Weight
83.13
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Methyl-1-pyrroline

2-methyl-1-pyrroline is a member of the class of pyrrolines that is 1-pyrroline substituted at position 2 by a methyl group. It is a pyrroline and an imine. It is a conjugate base of a 2-methyl-1-pyrrolinium.

CAS Number872-32-2
PubChem CID70103
IUPAC Name5-methyl-3,4-dihydro-2H-pyrrole
Molecular FormulaC5H9N
Molecular Weight83.13
XLogP0
Topological Polar Surface Area12.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity74
SMILES
CC1=NCCC1
InChI
InChI=1S/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H3
InChIKey
CTSZPNIMMLSKDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-1-pyrroline
CAS: 872-32-2
CID: 70103
Formula: C5H9N
MW: 83.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight83.13
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass83.073499291
Monoisotopic Mass83.073499291
Topological Polar Surface Area12.4 Ų
Heavy Atom Count6
Formal Charge0
Complexity74
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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