AMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2171225-73-1.png)
CAS RN: 2171225-73-1
[(1S)-1-(2-CHLOROPHENYL)ETHYL](METHYL)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 | Inquiry |
|---|---|---|---|---|
| Batchno.20250714 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2171225-73-1
- Purity/Analytical Methods: >99.0%
2171225-73-1 / (1S)-1-(2-chlorophenyl)-N-methylethanamine;hydrochloride
Basic Information
CAS
2171225-73-1
Multi CAS
No
Molecular Formula
C9H13Cl2N
Molecular Weight
206.110000
Exact Mass
205.042505
SMILES
C[C@@H](C1=CC=CC=C1Cl)NC.Cl
InChI
InChI=1S/C9H12ClN.ClH/c1-7(11-2)8-5-3-4-6-9(8)10;/h3-7,11H,1-2H3;1H/t7-;/m0./s1
InChIKey
BNEOSYMAHAISMO-FJXQXJEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.17
TPSA
12.03
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
3.04
Consensus LogP
2.92
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
RK-287107
- CAS RN: 2171386-10-8
- Product Code: starshine_CAS2171386-10-8
- Purity/Analytical method: >99.0%
-
1,3-Dioxoisoindolin-2-yl 2-methylbutanoate
- CAS RN: 2171537-18-9
- Product Code: starshine_CAS2171537-18-9
- Purity/Analytical method: >99.0%
-
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[(1E)-2-(2-methyl[1,1′-biphenyl]-3-yl)ethenyl]-
- CAS RN: 2171558-33-9
- Product Code: starshine_CAS2171558-33-9
- Purity/Analytical method: >99.0%
-
2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
- CAS RN: 2171780-01-9
- Product Code: SSC-104637
![CAS 2171558-33-9 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[(1E)-2-(2-methyl[1,1′-biphenyl]-3-yl)ethenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2171558-33-9.png)
