CAS RN: 1391444-87-3
(R)-1-(6-CHLOROPYRIDIN-3-YL)ETHANAMINE HCL
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.20251229 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391444-87-3
- Purity/Analytical Methods: >99.0%
1391444-87-3 / (1R)-1-(6-chloro-3-pyridinyl)ethanamine;hydrochloride
Basic Information
CAS
1391444-87-3
Multi CAS
No
Molecular Formula
C7H10Cl2N2
Molecular Weight
193.070000
Exact Mass
192.022104
SMILES
C[C@H](C1=CN=C(C=C1)Cl)N.Cl
InChI
InChI=1S/C7H9ClN2.ClH/c1-5(9)6-2-3-7(8)10-4-6;/h2-5H,9H2,1H3;1H/t5-;/m1./s1
InChIKey
FFDARTLRQCBNRB-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.1
TPSA
38.91
LogP / Solubility
WLOGP
2.18
MLOGP
1.91
XLogP3
2.18
Consensus LogP
2.09
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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