AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1213925-77-9.gif)
CAS RN: 1213925-77-9
[(1S)-1-(2-CHLOROPHENYL)ETHYL](METHYL)AMINE
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.20250404 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-023534
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 | Beijing | Inquiry |
1213925-77-9 / (1S)-1-(2-chlorophenyl)-N-methylethanamine
Basic Information
CAS
1213925-77-9
Multi CAS
No
Molecular Formula
C9H12ClN
Molecular Weight
169.650000
Exact Mass
169.065827
SMILES
C[C@@H](C1=CC=CC=C1Cl)NC
InChI
InChI=1S/C9H12ClN/c1-7(11-2)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m0/s1
InChIKey
UEVNECVWVMFIRG-ZETCQYMHSA-N
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
48.93
TPSA
12.03
LogP / Solubility
WLOGP
2.62
MLOGP
2.3
XLogP3
2.3
Consensus LogP
2.41
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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)
-1.89
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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![CAS 1213939-94-6 (S)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE-HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1213939-94-6.gif)
