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CAS 4444-68-2 N,N-DIETHYLBUTYLAMINE molecular structure lightbox
CAS RN: 4444-68-2

N,N-DIETHYLBUTYLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250918 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-152456
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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: ≥95%
  • 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 4444-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

4444-68-2 / N,N-diethylbutan-1-amine

Standard CAS: 4444-68-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4444-68-2
Multi CAS
No
Molecular Formula
C8H19N
Molecular Weight
129.240000
Exact Mass
129.151750
InChI
InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3
InChIKey
ORSUTASIQKBEFU-UHFFFAOYSA-N

Physical Properties

Physical Description
Diethylbutylamine is a light yellow liquid. (NTP, 1992)
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
42.7
TPSA
3.24

LogP / Solubility

WLOGP
2.13
MLOGP
1.86
XLogP3
2.2
Consensus LogP
2.06
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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

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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