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CAS 4097-88-5 2,2′-Diamino-N-methyldiethylamine molecular structure lightbox
CAS RN: 4097-88-5

2,2′-Diamino-N-methyldiethylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260627 1ml In stock Shandong Inquiry
  • Product code: SSC-149361
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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: ≥98%
  • 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 4097-88-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

4097-88-5 / N'-[2-(methylamino)ethyl]ethane-1,2-diamine

Standard CAS: 4097-88-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4097-88-5
Multi CAS
Yes
Molecular Formula
C5H15N3
Molecular Weight
117.190000
Exact Mass
117.126597
InChI
InChI=1S/C5H15N3/c1-7-4-5-8-3-2-6/h7-8H,2-6H2,1H3
InChIKey
QATBRNFTOCXULG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
35.85
TPSA
50.08

LogP / Solubility

WLOGP
-1.25
MLOGP
-1.11
XLogP3
-1.6
Consensus LogP
-1.32
Log S (ESOL)
0.55
Class (ESOL)
Highly soluble
Log S (Ali)
0.38
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.01
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)
-4.32

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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