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CAS 2687-44-7 N-Methyl-2-pyrrolidone molecular structure lightbox
CAS RN: 2687-44-7

N-Methyl-2-pyrrolidone

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260619 100g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20260603 2.5kg In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250430 500g In stock Shandong, Chongqing Inquiry
  • Product code: LINN886189
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2687-44-7 / 1-methylpyrrolidin-2-one

Standard CAS: 2687-44-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2687-44-7
Multi CAS
No
Molecular Formula
C5H9NO
Molecular Weight
99.130000
Exact Mass
99.068414
SMILES
CN1CCCC1=O
InChI
InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKey
SECXISVLQFMRJM-UHFFFAOYSA-N

Physical Properties

Melting Point
-9 °F (NTP, 1992) -25 °C -24.4 °C -9 °F
Boiling Point
396 °F at 760 mmHg (NTP, 1992) 202 °C at 760 mm Hg 202 °C 396 °F
Density
1.03 at 77 °F (USCG, 1999) - Denser than water; will sink 1.027 at 25 °C/25 °C Relative density (water = 1): 1.03 1.03
Physical Description
N-methyl-2-pyrrolidone appears as a clear colorless liquid with a "fishlike" odor. Denser than water. Flash point 199 °F. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. NKRA; Dry Powder; Liquid A clear colorless liquid with a fish-like odor; [CAMEO] Almost colorless liquid with an amine odor; [AIHA] COLOURLESS HYGROSCOPIC LIQUID WITH CHARACTERISTIC ODOUR. A clear colorless liquid with a fish-like odor.
Appearance
Clear liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
H-bond acceptors
1
Molar refractivity
26.87
TPSA
20.31

LogP / Solubility

WLOGP
0.24
MLOGP
0.2
XLogP3
-0.5
Consensus LogP
-0.02
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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