![CAS 2118954-10-0 exo-3-Amino-9-methyl-9-azabicyclo[3.3.1]nonane Dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2118954-10-0.png)
CAS RN: 2118954-10-0
exo-3-Amino-9-methyl-9-azabicyclo[3.3.1]nonane Dihydrochloride
- Product code: SSC-101203
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: 5g, 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.1g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 1g | -- | 2 In Stock | Beijing | Inquiry |
| 1g | >95% | 2 In Stock | Hong Kong | Inquiry |
2118954-10-0 / (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
Basic Information
CAS
2118954-10-0
Multi CAS
No
Molecular Formula
C9H20Cl2N2
Molecular Weight
227.170000
Exact Mass
226.100354
SMILES
CN1[C@@H]2CCC[C@H]1CC(C2)N.Cl.Cl
InChI
InChI=1S/C9H18N2.2ClH/c1-11-8-3-2-4-9(11)6-7(10)5-8;;/h7-9H,2-6,10H2,1H3;2*1H/t7?,8-,9+;;
InChIKey
ZYQLBGNYBPWAFH-XFRIOYGNSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.9
TPSA
29.26
LogP / Solubility
WLOGP
1.8
MLOGP
1.59
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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