CAS RN: 118974-46-2
N-(2-(2-hydroxyethoxy)ethyl)acetamide, 97%(HPLC)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN926701
118974-46-2 / N-[2-(2-hydroxyethoxy)ethyl]acetamide
N-[2-(2-hydroxyethoxy)ethyl]acetamide | Elfamoist AC | Acetamidoethoxyethanol
Basic Information
CAS
118974-46-2
Multi CAS
Yes
Molecular Formula
C6H13NO3
Molecular Weight
147.170000
Exact Mass
147.089543
SMILES
CC(=O)NCCOCCO
InChI
InChI=1S/C6H13NO3/c1-6(9)7-2-4-10-5-3-8/h8H,2-5H2,1H3,(H,7,9)
InChIKey
DJDAFXBIBNKCBR-UHFFFAOYSA-N
Synonyms
N-[2-(2-hydroxyethoxy)ethyl]acetamide
Elfamoist AC
Acetamidoethoxyethanol
LVX2APC4XR
UNII-LVX2APC4XR
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.59
TPSA
58.56
LogP / Solubility
WLOGP
-0.87
MLOGP
-0.77
XLogP3
-1.3
Consensus LogP
-0.98
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very 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)
-4.23
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)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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