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CAS 119967-49-6 Ethanol, 2-(3-pyridinyloxy)- (9CI) molecular structure lightbox
CAS RN: 119967-49-6

Ethanol, 2-(3-pyridinyloxy)- (9CI)

  • Product code: SSC-020726
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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 119967-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

119967-49-6 / 2-pyridin-3-yloxyethanol

2-(pyridin-3-yloxy)ethan-1-ol | 2-(3-pyridinyloxy)ethanol | RefChem:462129

Standard CAS: 119967-49-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119967-49-6
Multi CAS
No
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
SMILES
C1=CC(=CN=C1)OCCO
InChI
InChI=1S/C7H9NO2/c9-4-5-10-7-2-1-3-8-6-7/h1-3,6,9H,4-5H2
InChIKey
IFBXNOIFACMNNE-UHFFFAOYSA-N
Synonyms
2-(pyridin-3-yloxy)ethan-1-ol 2-(3-pyridinyloxy)ethanol RefChem:462129 817-226-8 2-(pyridin-3-yloxy)ethanol

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.82
TPSA
42.35

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
XLogP3
0.4
Consensus LogP
0.41
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-3.25

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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