1-Methylpyrrolidine

CAT: 0804-HY-128383-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-128383-01Size:500 mg

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Description

1-Methylpyrrolidine is a methylated pyrrolidine, which can be used as a precursor to synthesize polyfluorinated pyrrolidine derivatives.

CAS Number

120-94-5

UNSPSC

12352005

Hazard Statement

H225, H301, H314, H332, H411

Target

Drug Intermediate

Type

Reference compound

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/1-methylpyrrolidine.html

Concentration

10mM

Purity

99.02

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

CN1CCCC1

Molecular Formula

C5H11N

Molecular Weight

85.15

Precautions

H225, H301, H314, H332, H411

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

1-Methylpyrrolidine

1-methylpyrrolidine is a member of the class of pyrrolidines that is pyrrolidine substituted by a methyl group at position 1. It has a role as an impurity, a solvent and an insect repellent. It is functionally related to a pyrrolidine.

CAS Number	120-94-5
PubChem CID	8454
IUPAC Name	1-methylpyrrolidine
Molecular Formula	C5H11N
Molecular Weight	85.15
XLogP	0.9
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	37

SMILES

CN1CCCC1

InChI

InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3

InChIKey

AVFZOVWCLRSYKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120-94-5

CID: 8454

Formula: C5H11N

MW: 85.15

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	85.15
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	85.089149355
Monoisotopic Mass	85.089149355
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	37.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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C7100-100	1-Methylpyrrolidine
A18547-1000	1-Methylpyrrolidine 1g

1-Methylpyrrolidine

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