![CAS 70261-82-4 4-[(4-Methylpiperazin-1-yl)methyl]aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/70261-82-4.gif)
CAS RN: 70261-82-4
4-[(4-Methylpiperazin-1-yl)methyl]aniline
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-180065
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: 0.25g, 10g, 25g, 1g, 5g
- Available purity: ≥96%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 0.25g | ≥96% | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥96% | 2 In Stock | Shanghai | Inquiry |
| 25g | ≥96% | 2 In Stock | Shanghai | Inquiry |
| 1g | ≥96% | 1 In Stock | Shenzhen | Inquiry |
| 5g | ≥96% | 1 In Stock | Hong Kong | Inquiry |
70261-82-4 / 4-[(4-methylpiperazin-1-yl)methyl]aniline
Basic Information
CAS
70261-82-4
Multi CAS
Yes
Molecular Formula
C12H19N3
Molecular Weight
205.300000
Exact Mass
205.157898
InChI
InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10,13H2,1H3
InChIKey
NIXCVBFXLJWUTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.63
TPSA
32.5
LogP / Solubility
WLOGP
1.02
MLOGP
0.89
XLogP3
0.9
Consensus LogP
0.94
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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