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CAS 4960-64-9 2-[4-(2-Aminoethyl)phenoxy]ethanol molecular structure lightbox
CAS RN: 4960-64-9

2-[4-(2-Aminoethyl)phenoxy]ethanol

  • Product code: SSC-155819
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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 4960-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

4960-64-9 / 2-[4-(2-aminoethyl)phenoxy]ethanol

Standard CAS: 4960-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4960-64-9
Multi CAS
No
Molecular Formula
C10H15NO2
Molecular Weight
181.230000
Exact Mass
181.110279
InChI
InChI=1S/C10H15NO2/c11-6-5-9-1-3-10(4-2-9)13-8-7-12/h1-4,12H,5-8,11H2
InChIKey
QBPQHSPIVXPXKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.78
TPSA
55.48

LogP / Solubility

WLOGP
0.56
MLOGP
0.49
XLogP3
0.5
Consensus LogP
0.52
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-3.43

Drug-likeness / Medicinal Chemistry

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

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