CAS RN: 1211472-59-1
N-Ethyl-2-(1-iMidazolyl)ethanaMine
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.20260414 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-022510
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1211472-59-1 / N-ethyl-2-imidazol-1-ylethanamine
N-Ethyl-2-(1-imidazolyl)ethanamine | N-Ethyl-2-(1H-imidazol-1-yl)ethanamine | MFCD14619072
Basic Information
CAS
1211472-59-1
Multi CAS
No
Molecular Formula
C7H13N3
Molecular Weight
139.200000
Exact Mass
139.110947
SMILES
CCNCCN1C=CN=C1
InChI
InChI=1S/C7H13N3/c1-2-8-3-5-10-6-4-9-7-10/h4,6-8H,2-3,5H2,1H3
InChIKey
NVYAUEUOIDPZCX-UHFFFAOYSA-N
Synonyms
N-Ethyl-2-(1-imidazolyl)ethanamine
N-Ethyl-2-(1H-imidazol-1-yl)ethanamine
MFCD14619072
N-ethyl-2-imidazol-1-ylethanamine
SCHEMBL12473244
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.77
TPSA
29.85
LogP / Solubility
WLOGP
0.49
MLOGP
0.43
XLogP3
-0.1
Consensus LogP
0.27
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.22
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
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