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CAS 2041-14-7 (2-Aminoethyl)phosphonic acid molecular structure lightbox
CAS RN: 2041-14-7

(2-Aminoethyl)phosphonic acid

  • Product code: SSC-096026
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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 2041-14-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

2041-14-7 / 2-aminoethylphosphonic acid

Standard CAS: 2041-14-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2041-14-7
Multi CAS
No
Molecular Formula
C2H8NO3P
Molecular Weight
125.060000
Exact Mass
125.024180
SMILES
C(CP(=O)(O)O)N
InChI
InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey
QQVDJLLNRSOCEL-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
25.97
TPSA
83.55

LogP / Solubility

WLOGP
-0.88
MLOGP
-0.78
XLogP3
-4.8
Consensus LogP
-2.15
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.02
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)
-4.11

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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