[email protected]
CAS 120-94-5 1-Methylpyrrolidine molecular structure lightbox
CAS RN: 120-94-5

1-Methylpyrrolidine

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250313 100ml In stock Inquiry
Batchno.20250707 10L Out of stock Inquiry
Batchno.20260408 2.5L In stock Inquiry
Batchno.20250325 25ml In stock Inquiry
Batchno.20250423 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251120 25ml / 100ml / 500ml / 2.5L / 10L Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250124 5ml Out of stock 8-10 business days Inquiry
  • Product code: ICTM0415
  • Purity/Analytical Methods: >98.0%(GC)(T)
GET A QUOTE

120-94-5 / 1-methylpyrrolidine

1-METHYLPYRROLIDINE | N-Methylpyrrolidine | Pyrrolidine, 1-methyl-

Standard CAS: 120-94-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
120-94-5
Multi CAS
Yes
Molecular Formula
C5H11N
Molecular Weight
85.150000
Exact Mass
85.089149
SMILES
CN1CCCC1
InChI
InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
InChIKey
AVFZOVWCLRSYKC-UHFFFAOYSA-N
Synonyms
1-METHYLPYRROLIDINE N-Methylpyrrolidine Pyrrolidine, 1-methyl- N-Methyltetrahydropyrrole DTXSID8042210

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
26.73
TPSA
3.24

LogP / Solubility

WLOGP
0.71
MLOGP
0.61
XLogP3
0.9
Consensus LogP
0.74
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H301 (78.5%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (21.5%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (70.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us