CAS RN: 1822326-55-5
(1S)-2-methyl-1-phenylbutan-1-amine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250817 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: SSC-083238
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 | Hong Kong | Inquiry |
1822326-55-5 / (1S)-2-methyl-1-phenylbutan-1-amine;hydrochloride
Basic Information
CAS
1822326-55-5
Multi CAS
No
Molecular Formula
C11H18ClN
Molecular Weight
199.720000
Exact Mass
199.112777
SMILES
CCC(C)[C@@H](C1=CC=CC=C1)N.Cl
InChI
InChI=1S/C11H17N.ClH/c1-3-9(2)11(12)10-7-5-4-6-8-10;/h4-9,11H,3,12H2,1-2H3;1H/t9?,11-;/m0./s1
InChIKey
OBSSYONPWUBLOS-VLTGDTDDSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.07
TPSA
26.02
LogP / Solubility
WLOGP
3.15
MLOGP
2.78
XLogP3
3.15
Consensus LogP
3.03
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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