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CAS 554-52-9 4-(2-AMINO-ETHYL)-2-METHOXY-PHENOL molecular structure lightbox
CAS RN: 554-52-9

4-(2-AMINO-ETHYL)-2-METHOXY-PHENOL

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260625 100mg In stock Inquiry
Batchno.20260122 1g In stock Inquiry
Batchno.20250227 250mg In stock Inquiry
Batchno.20260111 5g Out of stock Inquiry
  • Product code: SSC-163291
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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 554-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

554-52-9 / 4-(2-aminoethyl)-2-methoxyphenol

Standard CAS: 554-52-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
554-52-9
Multi CAS
Yes
Molecular Formula
C9H13NO2
Molecular Weight
167.200000
Exact Mass
167.094629
InChI
InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
InChIKey
DIVQKHQLANKJQO-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.42
TPSA
55.48

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.2
Consensus LogP
0.63
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.1

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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