CAS RN: 10408-89-6
Benzenemethanamine, N,.alpha.-dimethyl-, hydrochloride (1:1)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250717 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS10408-89-6
- Purity/Analytical Methods: >99.0%
10408-89-6 / N-methyl-1-phenylethanamine;hydrochloride
N-Methyl-1-phenylethanamine hydrochloride | methyl(1-phenylethyl)amine hydrochloride | N-methyl-1-phenylethanamine;hydrochloride
Basic Information
CAS
10408-89-6
Multi CAS
Yes
Molecular Formula
C9H14ClN
Molecular Weight
171.670000
Exact Mass
171.081477
SMILES
CC(C1=CC=CC=C1)NC.Cl
InChI
InChI=1S/C9H13N.ClH/c1-8(10-2)9-6-4-3-5-7-9;/h3-8,10H,1-2H3;1H
InChIKey
CLMUXERMQYHMJN-UHFFFAOYSA-N
Synonyms
N-Methyl-1-phenylethanamine hydrochloride
methyl(1-phenylethyl)amine hydrochloride
N-methyl-1-phenylethanamine;hydrochloride
N-Methyl-1-phenylethylamine hydrochloride
MFCD09866174
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.16
TPSA
12.03
LogP / Solubility
WLOGP
2.39
MLOGP
2.1
XLogP3
2.39
Consensus LogP
2.29
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.07
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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