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CAS 1124-64-7 1-Butylpyridinium Chloride molecular structure lightbox
CAS RN: 1124-64-7

1-Butylpyridinium Chloride

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260618 100g Out of stock Inquiry
Batchno.20260206 1g In stock Inquiry
Batchno.20251125 25g In stock Inquiry
Batchno.20250211 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260325 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong Inquiry
  • Product code: SSC-012844
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1124-64-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

1124-64-7 / 1-butylpyridin-1-ium chloride

1-Butylpyridinium Chloride | n-Butylpyridinium chloride | Butylpyridinium chloride

Standard CAS: 1124-64-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1124-64-7
Multi CAS
Yes
Molecular Formula
C9H14ClN
Molecular Weight
171.670000
Exact Mass
171.081477
SMILES
CCCC[N+]1=CC=CC=C1.[Cl-]
InChI
InChI=1S/C9H14N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
InChIKey
POKOASTYJWUQJG-UHFFFAOYSA-M
Synonyms
1-Butylpyridinium Chloride n-Butylpyridinium chloride Butylpyridinium chloride DTXSID1031462 F8M63J351A

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
41.55
TPSA
3.88

LogP / Solubility

WLOGP
-1.22
MLOGP
-1.08
XLogP3
-1.22
Consensus LogP
-1.17
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.09
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.12
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.63

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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