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CAS 6094-81-1 bis(2-aminoethyl) hydrogen phosphate molecular structure lightbox
CAS RN: 6094-81-1

bis(2-aminoethyl) hydrogen phosphate

  • Product code: SSC-169629
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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 6094-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

6094-81-1 / bis(2-aminoethyl) hydrogen phosphate

Standard CAS: 6094-81-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6094-81-1
Multi CAS
No
Molecular Formula
C4H13N2O4P
Molecular Weight
184.130000
Exact Mass
184.061294
InChI
InChI=1S/C4H13N2O4P/c5-1-3-9-11(7,8)10-4-2-6/h1-6H2,(H,7,8)
InChIKey
UZKVIEIYYUANJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
39.84
TPSA
107.8

LogP / Solubility

WLOGP
-0.96
MLOGP
-0.85
XLogP3
-5.2
Consensus LogP
-2.34
Log S (ESOL)
0.02
Class (ESOL)
Highly soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
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)
-4.53

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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