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CAS 3398-69-4 N-TERT-BUTYL-N-ETHYLNITROSAMINE molecular structure lightbox
CAS RN: 3398-69-4

N-TERT-BUTYL-N-ETHYLNITROSAMINE

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250107 1ml In stock Shanghai, Shandong Inquiry
Batchno.20250428 5ml In stock Shanghai Inquiry
  • Product code: SSC-140194
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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: 5g
  • 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 3398-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

3398-69-4 / N-tert-butyl-N-ethylnitrous amide

Standard CAS: 3398-69-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3398-69-4
Multi CAS
Yes
Molecular Formula
C6H14N2O
Molecular Weight
130.190000
Exact Mass
130.110613
InChI
InChI=1S/C6H14N2O/c1-5-8(7-9)6(2,3)4/h5H2,1-4H3
InChIKey
AEMBWNDIEFEPTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
37.93
TPSA
32.67

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.5
Consensus LogP
1.62
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
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)
-2.24

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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