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CAS 112-33-4 2-[2-(3-aminopropoxy)ethoxy]ethanol molecular structure lightbox
CAS RN: 112-33-4

2-[2-(3-aminopropoxy)ethoxy]ethanol

  • Product code: SSC-012478
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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 112-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

112-33-4 / 2-[2-(3-aminopropoxy)ethoxy]ethanol

2-[2-(3-aminopropoxy)ethoxy]ethanol | Ethanol, 2-[2-(3-aminopropoxy)ethoxy]- | 2-(3-Aminopropoxy)ethoxyethanol

Standard CAS: 112-33-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
112-33-4
Multi CAS
Yes
Molecular Formula
C7H17NO3
Molecular Weight
163.210000
Exact Mass
163.120843
SMILES
C(CN)COCCOCCO
InChI
InChI=1S/C7H17NO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,1-8H2
InChIKey
DCZMLYRQHBZWLZ-UHFFFAOYSA-N
Synonyms
2-[2-(3-aminopropoxy)ethoxy]ethanol Ethanol, 2-[2-(3-aminopropoxy)ethoxy]- 2-(3-Aminopropoxy)ethoxyethanol 3-Aminopropoxy-2-ethoxy ethanol EINECS 203-960-0

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.4
TPSA
64.71

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.57
XLogP3
-1.3
Consensus LogP
-0.84
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.15
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.17

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (96.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (95.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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