CAS RN: 1391360-97-6
(S)-1-(pyridin-3-yl)ethanamine hydrochloride
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.20250408 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391360-97-6
- Purity/Analytical Methods: >99.0%
1391360-97-6 / (1S)-1-pyridin-3-ylethanamine;hydrochloride
Basic Information
CAS
1391360-97-6
Multi CAS
No
Molecular Formula
C7H11ClN2
Molecular Weight
158.630000
Exact Mass
158.061076
SMILES
C[C@@H](C1=CN=CC=C1)N.Cl
InChI
InChI=1S/C7H10N2.ClH/c1-6(8)7-3-2-4-9-5-7;/h2-6H,8H2,1H3;1H/t6-;/m0./s1
InChIKey
QCVFPKSPGIISLL-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.09
TPSA
38.91
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.61
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 1391373-95-7 METHYL 2-[(1R)-1-AMINOETHYL]BENZOATE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391373-95-7.gif)
