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CAS 14251-72-0 BUTYLTRIMETHYLAMMONIUM CHLORIDE molecular structure lightbox
CAS RN: 14251-72-0

BUTYLTRIMETHYLAMMONIUM CHLORIDE

  • Product code: SSC-053315
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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: 100g
  • 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 14251-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

14251-72-0 / butyl(trimethyl)azanium chloride

Standard CAS: 14251-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14251-72-0
Multi CAS
No
Molecular Formula
C7H18ClN
Molecular Weight
151.680000
Exact Mass
151.112777
SMILES
CCCC[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C7H18N.ClH/c1-5-6-7-8(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKey
WJVGUJSDVKTDIX-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
37.81
TPSA
0.0000

LogP / Solubility

WLOGP
-1.5
MLOGP
-1.33
XLogP3
-1.5
Consensus LogP
-1.44
Log S (ESOL)
0.36
Class (ESOL)
Highly soluble
Log S (Ali)
0.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.24
Class (SILICOS-IT)
Highly 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)
-4.71

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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