![CAS 2055848-87-6 {[(2S)-1,4-dioxan-2-yl]methyl}(methyl)amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055848-87-6.png)
CAS RN: 2055848-87-6
{[(2S)-1,4-dioxan-2-yl]methyl}(methyl)amine hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-096825
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2055848-87-6 / 1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine;hydrochloride
Basic Information
CAS
2055848-87-6
Multi CAS
No
Molecular Formula
C6H14ClNO2
Molecular Weight
167.630000
Exact Mass
167.071306
SMILES
CNC[C@H]1COCCO1.Cl
InChI
InChI=1S/C6H13NO2.ClH/c1-7-4-6-5-8-2-3-9-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKey
MUZNZRLDNIWRKI-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.73
TPSA
30.49
LogP / Solubility
WLOGP
0.04
MLOGP
0.03
XLogP3
0.04
Consensus LogP
0.04
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
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)
-3.71
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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