![CAS 251969-00-3 1-Propanol,3-amino-2-[(dimethylamino)methyl]-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/251969-00-3.gif)
CAS RN: 251969-00-3
1-Propanol,3-amino-2-[(dimethylamino)methyl]-(9CI)
- Product code: SSC-120903
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
251969-00-3 / 2-(aminomethyl)-3-(dimethylamino)propan-1-ol
Basic Information
CAS
251969-00-3
Multi CAS
No
Molecular Formula
C6H16N2O
Molecular Weight
132.200000
Exact Mass
132.126263
InChI
InChI=1S/C6H16N2O/c1-8(2)4-6(3-7)5-9/h6,9H,3-5,7H2,1-2H3
InChIKey
IRRVAGLBELTSDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.18
TPSA
49.49
LogP / Solubility
WLOGP
-0.88
MLOGP
-0.79
XLogP3
-1.1
Consensus LogP
-0.92
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
-0.01
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
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)
-4.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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