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CAS 479500-35-1 1-Butyl-1-methylpyrrolidinium Chloride molecular structure lightbox
CAS RN: 479500-35-1

1-Butyl-1-methylpyrrolidinium Chloride

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260316 100g In stock Shanghai Inquiry
Batchno.20250818 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250131 25g In stock Shanghai Inquiry
Batchno.20260524 500g Out of stock Inquiry
Batchno.20250225 5g In stock Shanghai Inquiry
  • Product code: ICTB3358
  • Purity/Analytical Methods: >98.0%(T)
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479500-35-1 / 1-butyl-1-methylpyrrolidin-1-ium chloride

Standard CAS: 479500-35-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
479500-35-1
Multi CAS
Yes
Molecular Formula
C9H20CLN
Molecular Weight
177.710000
Exact Mass
177.128427
InChI
InChI=1S/C9H20N.ClH/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1
InChIKey
BOOXKGZZTBKJFE-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
44.93
TPSA
0.0000

LogP / Solubility

WLOGP
-0.97
MLOGP
-0.86
XLogP3
-0.97
Consensus LogP
-0.93
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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