CAS RN: 4104-43-2
N-METHYLPHENETHYLAMINE 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 | Inquiry |
|---|---|---|---|---|
| Batchno.20260311 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS4104-43-2
- Purity/Analytical Methods: >99.0%
4104-43-2 / N-methyl-2-phenylethanamine;hydrochloride
Basic Information
CAS
4104-43-2
Multi CAS
Yes
Molecular Formula
C9H14CLN
Molecular Weight
171.670000
Exact Mass
171.081477
InChI
InChI=1S/C9H13N.ClH/c1-10-8-7-9-5-3-2-4-6-9;/h2-6,10H,7-8H2,1H3;1H
InChIKey
WIBADEXUNPVVIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.32
TPSA
12.03
LogP / Solubility
WLOGP
1.87
MLOGP
1.64
XLogP3
1.87
Consensus LogP
1.79
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.44
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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