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CAS 27431-62-5 4-(DIETHYLAMINO)BUTYLAMINE molecular structure lightbox
CAS RN: 27431-62-5

4-(DIETHYLAMINO)BUTYLAMINE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250604 100mg In stock Inquiry
Batchno.20260516 1g In stock Inquiry
Batchno.20250411 250mg In stock Inquiry
  • Product code: SSC-126759
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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: 1g
  • 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 27431-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

27431-62-5 / N',N'-diethylbutane-1,4-diamine

Standard CAS: 27431-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27431-62-5
Multi CAS
No
Molecular Formula
C8H20N2
Molecular Weight
144.260000
Exact Mass
144.162649
SMILES
CCN(CC)CCCCN
InChI
InChI=1S/C8H20N2/c1-3-10(4-2)8-6-5-7-9/h3-9H2,1-2H3
InChIKey
JILXUIANNUALRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.08
TPSA
29.26

LogP / Solubility

WLOGP
1.07
MLOGP
0.93
XLogP3
0.8
Consensus LogP
0.93
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
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)
-2.84

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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