CAS RN: 69957-83-1
N-Ethyl-4-Chlorobenzylamine
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-179725
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, 25g, 5g, 0.1g, 0.25g, 10g
- Available purity: >97%
- Inventory rows with stock: 3
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 0.25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | >97% | 0 Out of Stock | Shanghai | Inquiry |
69957-83-1 / N-[(4-chlorophenyl)methyl]ethanamine
Basic Information
CAS
69957-83-1
Multi CAS
Yes
Molecular Formula
C9H12CLN
Molecular Weight
169.650000
Exact Mass
169.065827
InChI
InChI=1S/C9H12ClN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChIKey
DWQGKMSNZGJKJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.83
TPSA
12.03
LogP / Solubility
WLOGP
2.45
MLOGP
2.15
XLogP3
2.6
Consensus LogP
2.4
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.02
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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- CAS RN: 69958-53-8
- Product Code: SSC-179727
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![CAS 69958-53-8 6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69958-53-8.gif)
