![CAS 87786-09-2 [(1,2-Dimethyl-1H-imidazol-5-yl)methyl]amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82557227.gif)
CAS RN: 87786-09-2
[(1,2-Dimethyl-1H-imidazol-5-yl)methyl]amine dihydrochloride
- Product code: SSC-198069
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 | Hong Kong | Inquiry |
87786-09-2 / (2,3-dimethylimidazol-4-yl)methanamine
Basic Information
CAS
87786-09-2
Multi CAS
Yes
Molecular Formula
C6H11N3
Molecular Weight
125.170000
Exact Mass
125.095297
InChI
InChI=1S/C6H11N3/c1-5-8-4-6(3-7)9(5)2/h4H,3,7H2,1-2H3
InChIKey
YGAHXOAPDMHPMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.84
TPSA
43.84
LogP / Solubility
WLOGP
0.19
MLOGP
0.16
XLogP3
-0.7
Consensus LogP
-0.12
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.35
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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