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CAS 4097-90-9 1,2-Ethanediamine, N,N,N’,N’-tetrakis(2-aminoethyl)- molecular structure lightbox
CAS RN: 4097-90-9

1,2-Ethanediamine, N,N,N’,N’-tetrakis(2-aminoethyl)-

  • Product code: SSC-149363
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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: ≥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 4097-90-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

4097-90-9 / N'-(2-aminoethyl)-N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine

Standard CAS: 4097-90-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4097-90-9
Multi CAS
Yes
Molecular Formula
C10H28N6
Molecular Weight
232.370000
Exact Mass
232.237545
InChI
InChI=1S/C10H28N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h1-14H2
InChIKey
BPFBNAXGHSFGDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
4
Molar refractivity
69.1
TPSA
110.56

LogP / Solubility

WLOGP
-2.57
MLOGP
-2.26
XLogP3
-3.5
Consensus LogP
-2.78
Log S (ESOL)
1.07
Class (ESOL)
Highly soluble
Log S (Ali)
0.39
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.35
Class (SILICOS-IT)
Very 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)
-5.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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